Structure & Deep Data of Sennidin B (C30H18O10)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Sennidin B molecule contains a total of 63 bond(s). There are 45 non-H bond(s), 28 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 24 aromatic bond(s), 6 six-membered ring(s), 4 ten-membered ring(s), 2 carboxylic acid(s) (aromatic), 2 ketone(s) (aromatic), 2 hydroxyl group(s), and 4 aromatic hydroxyl(s). Images of the chemical structure of Sennidin B are given below:

The 2D chemical structure image of Sennidin B is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Sennidin B are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Sennidin B is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Sennidin B. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Sennidin B Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Sennidin B

  The SMILES string of Sennidin B is OC(=O)c6cc(O)c5C(=O)c1c(O)cccc1C(C3c2cccc(O)c2C(=O)c4c(O)cc(cc34)C(O)=O)c5c6, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Sennidin B.

• Structure Data File (SDF/MOL File) of Sennidin B

  The structure data file (SDF/MOL File) of Sennidin B is available for download in the SDF page of Sennidin B, which provides the information about the atoms, bonds, connectivity and coordinates of Sennidin B. The Sennidin B structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Sennidin B

  The molecular formula of Sennidin B is available in chemical formula page of Sennidin B, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Sennidin B

  The molecular weight of Sennidin B is available in molecular weight page of Sennidin B, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Sennidin B

  The Sennidin B compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Sennidin B including the various registry numbers, if available:

  • [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-,(9R,9'S)-rel-
  • [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (9R,9'S)-rel-
  • (9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9,10-dihydroanthracen-9-yl]-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid
  • (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-
  • N2374
  • MFCD00198029
  • 8258AH
  • HMDB02895
  • Ambap517-44-2
  • SENNIDINEB

  • (R*,S*)-9,9',10,10'-Tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid
  • (R*,S*)-9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid
  • VI631S52AW
  • 517-44-2
  • Sennidine B
  • Sennidin B

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Sennidin B Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Sennidin B?
C30H18O10
How many atoms and what are the elements included the Sennidin B molecule?
58 atom(s) - 18 Hydrogen atom(s), 30 Carbon atom(s), and 10 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Sennidin B structure?
63 bond(s) - 45 non-H bond(s), 28 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 24 aromatic bond(s), 6 six-membered ring(s), 4 ten-membered ring(s), 2 carboxylic acid(s) (aromatic), 2 ketone(s) (aromatic), 2 hydroxyl group(s), and 4 aromatic hydroxyl(s)
What’s the Sennidin B’s molecular weight?
538.45792 g/mol
What’s the SMILES code of Sennidin B?
OC(=O)c6cc(O)c5C(=O)c1c(O)cccc1C(C3c2cccc(O)c2C(=O)c4c(O)cc(cc34)C(O)=O)c5c6
What’s the InChI string of Sennidin B?
InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
What’s the InChIKey code of Sennidin B?
JPMRHWLJLNKRTJ-SZPZYZBQSA-N

40 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).