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

Systemtic Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-phenylsulfanyl-hept-6-enoic acid Openeye Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-phenylsulfanyl-hept-6-enoic acid CAS Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(phenylthio)-6-heptenoic acid IUPAC Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylsulfanylhept-6-enoic acid Traditional Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-(phenylthio)hept-6-enoic acid Formula: C23H34O3S MolecularWeight: 390.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(CC=C)C(CC(=O)O)SC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H](CC=C)[C@@H](CC(=O)O)SC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C23H34O3S/c1-5-9-20(26-21-14-17(4)12-13-19(21)16(2)3)22(15-23(24)25)27-18-10-7-6-8-11-18/h5-8,10-11,16-17,19-22H,1,9,12-15H2,2-4H3,(H,24,25)/t17-,19+,20+,21-,22-/m1/s1