4,6-bis[(2-methylsulfanylphenyl)carbonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(2-methylsulfanylphenyl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(2-methylsulfanylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[[2-(methylthio)phenyl]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(2-methylsulfanylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis[2-(methylthio)benzoyl]isophthalic acid Formula: C24H18O6S2 MolecularWeight: 466.52612

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C24H18O6S2/c1-31-19-9-5-3-7-13(19)21(25)15-11-16(18(24(29)30)12-17(15)23(27)28)22(26)14-8-4-6-10-20(14)32-2/h3-12H,1-2H3,(H,27,28)(H,29,30)