2-methoxy-2,5-dimethyl-4-phenylsulfanyl-hex-4-enoic acid

Systemtic Name: 2-methoxy-2,5-dimethyl-4-phenylsulfanyl-hex-4-enoic acid Openeye Name: 2-methoxy-2,5-dimethyl-4-phenylsulfanyl-hex-4-enoic acid CAS Name: 2-methoxy-2,5-dimethyl-4-(phenylthio)-4-hexenoic acid IUPAC Name: 2-methoxy-2,5-dimethyl-4-phenylsulfanylhex-4-enoic acid Traditional Name: 2-methoxy-2,5-dimethyl-4-(phenylthio)hex-4-enoic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3S/c1-11(2)13(10-15(3,18-4)14(16)17)19-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,17)