4-(3,4-dicarboxyphenyl)-3-sulfanyl-phthalic acid

Systemtic Name: 4-(3,4-dicarboxyphenyl)-3-sulfanyl-phthalic acid Openeye Name: 4-(3,4-dicarboxyphenyl)-3-sulfanyl-phthalic acid CAS Name: 4-(3,4-dicarboxyphenyl)-3-mercaptophthalic acid IUPAC Name: 4-(3,4-dicarboxyphenyl)-3-sulfanylphthalic acid Traditional Name: 4-(3,4-dicarboxyphenyl)-3-mercapto-phthalic acid Formula: C16H10O8S MolecularWeight: 362.3108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)O)C(=O)O)S)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)O)C(=O)O)S)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O8S/c17-13(18)8-2-1-6(5-10(8)15(21)22)7-3-4-9(14(19)20)11(12(7)25)16(23)24/h1-5,25H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)