(phenylmethyl) (2R,3E)-2,4-dimethyl-2-propanoylsulfanyl-hexa-3,5-dienoate

Systemtic Name: (phenylmethyl) (2R,3E)-2,4-dimethyl-2-propanoylsulfanyl-hexa-3,5-dienoate Openeye Name: benzyl (2R,3E)-2,4-dimethyl-2-propanoylsulfanyl-hexa-3,5-dienoate CAS Name: (2R,3E)-2,4-dimethyl-2-(1-oxopropylthio)hexa-3,5-dienoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3E)-2,4-dimethyl-2-propanoylsulfanylhexa-3,5-dienoate Traditional Name: (2R,3E)-2,4-dimethyl-2-(propionylthio)hexa-3,5-dienoic acid benzyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C(C)C=C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(=O)S[C@](C)(/C=C(\C)/C=C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H22O3S/c1-5-14(3)12-18(4,22-16(19)6-2)17(20)21-13-15-10-8-7-9-11-15/h5,7-12H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1