4-[4-[4-(3,4-dicarboxyphenyl)phenyl]sulfanylphenyl]phthalic acid

Systemtic Name: 4-[4-[4-(3,4-dicarboxyphenyl)phenyl]sulfanylphenyl]phthalic acid Openeye Name: 4-[4-[4-(3,4-dicarboxyphenyl)phenyl]sulfanylphenyl]phthalic acid CAS Name: 4-[4-[[4-(3,4-dicarboxyphenyl)phenyl]thio]phenyl]phthalic acid IUPAC Name: 4-[4-[4-(3,4-dicarboxyphenyl)phenyl]sulfanylphenyl]phthalic acid Traditional Name: 4-[4-[[4-(3,4-dicarboxyphenyl)phenyl]thio]phenyl]phthalic acid Formula: C28H18O8S MolecularWeight: 514.50272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)C(=O)O)SC3=CC=C(C=C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)C(=O)O)C(=O)O)SC3=CC=C(C=C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O8S/c29-25(30)21-11-5-17(13-23(21)27(33)34)15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)18-6-12-22(26(31)32)24(14-18)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)