3-(2-carboxyphenyl)sulfanyl-5-phenylsulfanyl-phthalic acid

Systemtic Name: 3-(2-carboxyphenyl)sulfanyl-5-phenylsulfanyl-phthalic acid Openeye Name: 3-(2-carboxyphenyl)sulfanyl-5-phenylsulfanyl-phthalic acid CAS Name: 3-[(2-carboxyphenyl)thio]-5-(phenylthio)phthalic acid IUPAC Name: 3-(2-carboxyphenyl)sulfanyl-5-phenylsulfanylphthalic acid Traditional Name: 3-[(2-carboxyphenyl)thio]-5-(phenylthio)phthalic acid Formula: C21H14O6S2 MolecularWeight: 426.46226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=C(C(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=C(C(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H14O6S2/c22-19(23)14-8-4-5-9-16(14)29-17-11-13(28-12-6-2-1-3-7-12)10-15(20(24)25)18(17)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)