4-(2-methylsulfonylphenyl)carbonylphthalic acid

Systemtic Name: 4-(2-methylsulfonylphenyl)carbonylphthalic acid Openeye Name: 4-(2-methylsulfonylbenzoyl)phthalic acid CAS Name: 4-[(2-methylsulfonylphenyl)-oxomethyl]phthalic acid IUPAC Name: 4-(2-methylsulfonylbenzoyl)phthalic acid Traditional Name: 4-(2-mesylbenzoyl)phthalic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O7S/c1-24(22,23)13-5-3-2-4-11(13)14(17)9-6-7-10(15(18)19)12(8-9)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)