(3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-6-oxidanylidene-6-phenyl-3-phenylsulfanyl-hexanoic acid

Systemtic Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-6-oxidanylidene-6-phenyl-3-phenylsulfanyl-hexanoic acid Openeye Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-6-oxo-6-phenyl-3-phenylsulfanyl-hexanoic acid CAS Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-6-phenyl-3-(phenylthio)hexanoic acid IUPAC Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-6-phenyl-3-phenylsulfanylhexanoic acid Traditional Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-6-keto-6-phenyl-3-(phenylthio)hexanoic acid Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(CC(=O)C2=CC=CC=C2)C(CC(=O)O)SC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H](CC(=O)C2=CC=CC=C2)[C@@H](CC(=O)O)SC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C28H36O4S/c1-19(2)23-15-14-20(3)16-25(23)32-26(17-24(29)21-10-6-4-7-11-21)27(18-28(30)31)33-22-12-8-5-9-13-22/h4-13,19-20,23,25-27H,14-18H2,1-3H3,(H,30,31)/t20-,23+,25-,26+,27-/m1/s1