4-[4-chloranyl-3-(3,4-dicarboxyphenyl)sulfanyl-phenyl]sulfanylphthalic acid

Systemtic Name: 4-[4-chloranyl-3-(3,4-dicarboxyphenyl)sulfanyl-phenyl]sulfanylphthalic acid Openeye Name: 4-[4-chloro-3-(3,4-dicarboxyphenyl)sulfanyl-phenyl]sulfanylphthalic acid CAS Name: 4-[[4-chloro-3-[(3,4-dicarboxyphenyl)thio]phenyl]thio]phthalic acid IUPAC Name: 4-[4-chloro-3-(3,4-dicarboxyphenyl)sulfanylphenyl]sulfanylphthalic acid Traditional Name: 4-[[4-chloro-3-[(3,4-dicarboxyphenyl)thio]phenyl]thio]phthalic acid Formula: C22H13ClO8S2 MolecularWeight: 504.91682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)Cl)SC3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)Cl)SC3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H13ClO8S2/c23-17-6-3-12(32-10-1-4-13(19(24)25)15(7-10)21(28)29)9-18(17)33-11-2-5-14(20(26)27)16(8-11)22(30)31/h1-9H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)