4-(3-methyl-2-sulfanyl-phenyl)carbonyloxyphthalic acid

Systemtic Name: 4-(3-methyl-2-sulfanyl-phenyl)carbonyloxyphthalic acid Openeye Name: 4-(3-methyl-2-sulfanyl-benzoyl)oxyphthalic acid CAS Name: 4-[(2-mercapto-3-methylphenyl)-oxomethoxy]phthalic acid IUPAC Name: 4-(3-methyl-2-sulfanylbenzoyl)oxyphthalic acid Traditional Name: 4-(2-mercapto-3-methyl-benzoyl)oxyphthalic acid Formula: C16H12O6S MolecularWeight: 332.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S)C(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1S)C(=O)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O6S/c1-8-3-2-4-11(13(8)23)16(21)22-9-5-6-10(14(17)18)12(7-9)15(19)20/h2-7,23H,1H3,(H,17,18)(H,19,20)