(2E)-2-(phenylsulfonylmethylidene)pentanoic acid

Systemtic Name: (2E)-2-(phenylsulfonylmethylidene)pentanoic acid Openeye Name: (2E)-2-(benzenesulfonylmethylene)pentanoic acid CAS Name: (2E)-2-(benzenesulfonylmethylidene)pentanoic acid IUPAC Name: (2E)-2-(benzenesulfonylmethylidene)pentanoic acid Traditional Name: (E)-3-besyl-2-propyl-acrylic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-2-6-10(12(13)14)9-17(15,16)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3,(H,13,14)/b10-9+