methyl (3S,4S)-2,2,6-trimethyl-3-oxidanyl-4-phenylsulfanyl-heptanoate

Systemtic Name: methyl (3S,4S)-2,2,6-trimethyl-3-oxidanyl-4-phenylsulfanyl-heptanoate Openeye Name: methyl (3S,4S)-3-hydroxy-2,2,6-trimethyl-4-phenylsulfanyl-heptanoate CAS Name: (3S,4S)-3-hydroxy-2,2,6-trimethyl-4-(phenylthio)heptanoic acid methyl ester IUPAC Name: methyl (3S,4S)-3-hydroxy-2,2,6-trimethyl-4-phenylsulfanylheptanoate Traditional Name: (3S,4S)-3-hydroxy-2,2,6-trimethyl-4-(phenylthio)enanthic acid methyl ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-12(2)11-14(21-13-9-7-6-8-10-13)15(18)17(3,4)16(19)20-5/h6-10,12,14-15,18H,11H2,1-5H3/t14-,15+/m0/s1