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

Systemtic Name: 4-(2-methyl-3-sulfanyl-phenyl)carbonylphthalic acid Openeye Name: 4-(2-methyl-3-sulfanyl-benzoyl)phthalic acid CAS Name: 4-[(3-mercapto-2-methylphenyl)-oxomethyl]phthalic acid IUPAC Name: 4-(2-methyl-3-sulfanylbenzoyl)phthalic acid Traditional Name: 4-(3-mercapto-2-methyl-benzoyl)phthalic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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