(4E)-3-oxidanylidene-4-(phenylmethylidene)-2-sulfanyl-hexanoic acid

Systemtic Name: (4E)-3-oxidanylidene-4-(phenylmethylidene)-2-sulfanyl-hexanoic acid Openeye Name: (4E)-4-benzylidene-3-oxo-2-sulfanyl-hexanoic acid CAS Name: (4E)-2-mercapto-3-oxo-4-(phenylmethylene)hexanoic acid IUPAC Name: (4E)-4-benzylidene-3-oxo-2-sulfanylhexanoic acid Traditional Name: (E)-4-ethyl-3-keto-2-mercapto-5-phenyl-pent-4-enoic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-2-10(11(14)12(17)13(15)16)8-9-6-4-3-5-7-9/h3-8,12,17H,2H2,1H3,(H,15,16)/b10-8+