methyl (E,4R,5S)-5-oxidanyl-4-phenylsulfanyl-hex-2-enoate

Systemtic Name: methyl (E,4R,5S)-5-oxidanyl-4-phenylsulfanyl-hex-2-enoate Openeye Name: methyl (E,4R,5S)-5-hydroxy-4-phenylsulfanyl-hex-2-enoate CAS Name: (E,4R,5S)-5-hydroxy-4-(phenylthio)-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4R,5S)-5-hydroxy-4-phenylsulfanylhex-2-enoate Traditional Name: (E,4R,5S)-5-hydroxy-4-(phenylthio)hex-2-enoic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@@H](/C=C/C(=O)OC)SC1=CC=CC=C1)O

InChI

InChI=1S/C13H16O3S/c1-10(14)12(8-9-13(15)16-2)17-11-6-4-3-5-7-11/h3-10,12,14H,1-2H3/b9-8+/t10-,12+/m0/s1