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

Systemtic Name: (3R,4S)-5-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-6-oxidanylidene-3-phenylsulfanyl-octanoic acid Openeye Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-5-methyl-6-oxo-3-phenylsulfanyl-octanoic acid CAS Name: (3R,4S)-5-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-3-(phenylthio)octanoic acid IUPAC Name: (3R,4S)-5-methyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-3-phenylsulfanyloctanoic acid Traditional Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-6-keto-5-methyl-3-(phenylthio)caprylic acid Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)C(C)[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/C25H38O4S/c1-6-21(26)18(5)25(29-22-14-17(4)12-13-20(22)16(2)3)23(15-24(27)28)30-19-10-8-7-9-11-19/h7-11,16-18,20,22-23,25H,6,12-15H2,1-5H3,(H,27,28)/t17-,18?,20+,22-,23-,25+/m1/s1