ethyl (2R)-2-[(1S,2S)-2-(4-methylphenyl)sulfinyl-1-oxidanyl-cyclohexyl]butanoate

Systemtic Name: ethyl (2R)-2-[(1S,2S)-2-(4-methylphenyl)sulfinyl-1-oxidanyl-cyclohexyl]butanoate Openeye Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]butanoate CAS Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]butanoate Traditional Name: (2R)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfinyl)cyclohexyl]butyric acid ethyl ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C1(CCCCC1S(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC[C@@H](C(=O)OCC)[C@]1(CCCC[C@@H]1S(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C19H28O4S/c1-4-16(18(20)23-5-2)19(21)13-7-6-8-17(19)24(22)15-11-9-14(3)10-12-15/h9-12,16-17,21H,4-8,13H2,1-3H3/t16-,17-,19-,24?/m0/s1