3-(4-methylphenyl)carbonylsulfanylphthalic acid

Systemtic Name: 3-(4-methylphenyl)carbonylsulfanylphthalic acid Openeye Name: 3-(4-methylbenzoyl)sulfanylphthalic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]thio]phthalic acid IUPAC Name: 3-(4-methylbenzoyl)sulfanylphthalic acid Traditional Name: 3-(p-toluoylthio)phthalic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=CC=CC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=CC=CC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O5S/c1-9-5-7-10(8-6-9)16(21)22-12-4-2-3-11(14(17)18)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)