3-[(E)-but-2-enyl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[(E)-but-2-enyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[(E)-but-2-enyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[(E)-but-2-enyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[(E)-but-2-enyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[(E)-but-2-enyl]sulfonyl-4-methyl-benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C12H14O4S/c1-3-4-7-17(15,16)11-8-10(12(13)14)6-5-9(11)2/h3-6,8H,7H2,1-2H3,(H,13,14)/b4-3+