(3E,5E)-3-ethoxycarbonyl-2,2,5-trimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid

Systemtic Name: (3E,5E)-3-ethoxycarbonyl-2,2,5-trimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid Openeye Name: (3E,5E)-3-ethoxycarbonyl-2,2,5-trimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid CAS Name: (3E,5E)-3-ethoxycarbonyl-2,2,5-trimethyl-6-(phenylthio)hexa-3,5-dienoic acid IUPAC Name: (3E,5E)-3-ethoxycarbonyl-2,2,5-trimethyl-6-phenylsulfanylhexa-3,5-dienoic acid Traditional Name: (3E,5E)-3-carbethoxy-2,2,5-trimethyl-6-(phenylthio)hexa-3,5-dienoic acid Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4S/c1-5-22-16(19)15(18(3,4)17(20)21)11-13(2)12-23-14-9-7-6-8-10-14/h6-12H,5H2,1-4H3,(H,20,21)/b13-12+,15-11-