4-[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]sulfanyl-3-(2,3-dicarboxyphenyl)phthalic acid

Systemtic Name: 4-[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]sulfanyl-3-(2,3-dicarboxyphenyl)phthalic acid Openeye Name: 4-[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]sulfanyl-3-(2,3-dicarboxyphenyl)phthalic acid CAS Name: 4-[[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]thio]-3-(2,3-dicarboxyphenyl)phthalic acid IUPAC Name: 4-[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]sulfanyl-3-(2,3-dicarboxyphenyl)phthalic acid Traditional Name: 4-[[3,4-dicarboxy-2-(2,3-dicarboxyphenyl)phenyl]thio]-3-(2,3-dicarboxyphenyl)phthalic acid Formula: C32H18O16S MolecularWeight: 690.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C2=C(C=CC(=C2C(=O)O)C(=O)O)SC3=C(C(=C(C=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C2=C(C=CC(=C2C(=O)O)C(=O)O)SC3=C(C(=C(C=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C32H18O16S/c33-25(34)13-5-1-3-11(19(13)29(41)42)21-17(9-7-15(27(37)38)23(21)31(45)46)49-18-10-8-16(28(39)40)24(32(47)48)22(18)12-4-2-6-14(26(35)36)20(12)30(43)44/h1-10H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)