ethyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-phenylsulfanyl-heptanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)(C)C(=O)OCC)O)SC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-5-10-14(21-13-11-8-7-9-12-13)15(18)17(3,4)16(19)20-6-2/h7-9,11-12,14-15,18H,5-6,10H2,1-4H3/t14-,15-/m0/s1