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

Systemtic Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-phenylsulfanyl-hexanoic acid Openeye Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-phenylsulfanyl-hexanoic acid CAS Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(phenylthio)hexanoic acid IUPAC Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylsulfanylhexanoic acid Traditional Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-(phenylthio)hexanoic acid Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)SC1=CC=CC=C1)OC2CC(CCC2C(C)C)C

Isomeric SMILES

CC[C@@H]([C@@H](CC(=O)O)SC1=CC=CC=C1)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C

InChI

InChI=1S/C22H34O3S/c1-5-19(25-20-13-16(4)11-12-18(20)15(2)3)21(14-22(23)24)26-17-9-7-6-8-10-17/h6-10,15-16,18-21H,5,11-14H2,1-4H3,(H,23,24)/t16-,18+,19+,20-,21-/m1/s1