(2E)-2-[(4-methylphenyl)sulfonylmethylidene]pentanoic acid

Systemtic Name: (2E)-2-[(4-methylphenyl)sulfonylmethylidene]pentanoic acid Openeye Name: (2E)-2-(p-tolylsulfonylmethylene)pentanoic acid CAS Name: (2E)-2-[(4-methylphenyl)sulfonylmethylidene]pentanoic acid IUPAC Name: (2E)-2-[(4-methylphenyl)sulfonylmethylidene]pentanoic acid Traditional Name: (E)-2-propyl-3-tosyl-acrylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C(=C\S(=O)(=O)C1=CC=C(C=C1)C)/C(=O)O

InChI

InChI=1S/C13H16O4S/c1-3-4-11(13(14)15)9-18(16,17)12-7-5-10(2)6-8-12/h5-9H,3-4H2,1-2H3,(H,14,15)/b11-9+