3,4-dimethyl-5-prop-2-enylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-prop-2-enylsulfonyl-benzoic acid Openeye Name: 3-allylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-prop-2-enylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-prop-2-enylsulfonylbenzoic acid Traditional Name: 3-allylsulfonyl-4,5-dimethyl-benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC=C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC=C)C

InChI

InChI=1S/C12H14O4S/c1-4-5-17(15,16)11-7-10(12(13)14)6-8(2)9(11)3/h4,6-7H,1,5H2,2-3H3,(H,13,14)