2,5-bis[(2-methylsulfanylphenyl)carbonyl]terephthalic acid

Systemtic Name: 2,5-bis[(2-methylsulfanylphenyl)carbonyl]terephthalic acid Openeye Name: 2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid CAS Name: 2,5-bis[[2-(methylthio)phenyl]-oxomethyl]terephthalic acid IUPAC Name: 2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid Traditional Name: 2,5-bis[2-(methylthio)benzoyl]terephthalic 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)C3=CC=CC=C3SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H18O6S2/c1-31-19-9-5-3-7-13(19)21(25)15-11-18(24(29)30)16(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)