4-[2-[(2-methylphenyl)sulfonylmethyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[(2-methylphenyl)sulfonylmethyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-(o-tolylsulfonylmethyl)prop-2-enoyl]benzoic acid CAS Name: 4-[2-[(2-methylphenyl)sulfonylmethyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[(2-methylphenyl)sulfonylmethyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-(o-tolylsulfonylmethyl)acryloyl]benzoic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S/c1-12-5-3-4-6-16(12)24(22,23)11-13(2)17(19)14-7-9-15(10-8-14)18(20)21/h3-10H,2,11H2,1H3,(H,20,21)