(E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoic acid

Systemtic Name: (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoic acid Openeye Name: (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoic acid CAS Name: (E)-4,4-dimethyl-3-(phenylthio)-2-pentenoic acid IUPAC Name: (E)-4,4-dimethyl-3-phenylsulfanylpent-2-enoic acid Traditional Name: (E)-4,4-dimethyl-3-(phenylthio)pent-2-enoic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)/C(=C\C(=O)O)/SC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-13(2,3)11(9-12(14)15)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b11-9+