(3S,4S,5S)-3-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-4-phenylsulfanyl-oxolan-2-one

Systemtic Name: (3S,4S,5S)-3-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-4-phenylsulfanyl-oxolan-2-one Openeye Name: (3S,4S,5S)-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-methyl-4-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: (3S,4S,5S)-3-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-(phenylthio)-2-oxolanone IUPAC Name: (3S,4S,5S)-3-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-phenylsulfanyloxolan-2-one Traditional Name: (3S,4S,5S)-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-methyl-4-(phenylthio)tetrahydrofuran-2-one Formula: C21H30O3S MolecularWeight: 362.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C(C(C(=O)O2)C)SC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2[C@H]([C@H](C(=O)O2)C)SC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H30O3S/c1-13(2)17-11-10-14(3)12-18(17)23-21-19(15(4)20(22)24-21)25-16-8-6-5-7-9-16/h5-9,13-15,17-19,21H,10-12H2,1-4H3/t14-,15-,17+,18-,19+,21+/m1/s1