(3E,5E)-3-ethoxycarbonyl-5-methyl-6-phenylsulfanyl-hexa-3,5-dienoic acid

Systemtic Name: (3E,5E)-3-ethoxycarbonyl-5-methyl-6-phenylsulfanyl-hexa-3,5-dienoic acid Openeye Name: (3E,5E)-3-ethoxycarbonyl-5-methyl-6-phenylsulfanyl-hexa-3,5-dienoic acid CAS Name: (3E,5E)-3-ethoxycarbonyl-5-methyl-6-(phenylthio)hexa-3,5-dienoic acid IUPAC Name: (3E,5E)-3-ethoxycarbonyl-5-methyl-6-phenylsulfanylhexa-3,5-dienoic acid Traditional Name: (3E,5E)-3-carbethoxy-5-methyl-6-(phenylthio)hexa-3,5-dienoic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=CSC1=CC=CC=C1)C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-3-20-16(19)13(10-15(17)18)9-12(2)11-21-14-7-5-4-6-8-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/b12-11+,13-9+