[(3R,4S)-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-oxidanyl-hexan-3-yl] ethanoate

Systemtic Name: [(3R,4S)-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-5-oxidanyl-hexan-3-yl] ethanoate Openeye Name: [(1R,2S)-3-hydroxy-1-isopropyl-3-methyl-2-(p-tolylsulfonylmethyl)butyl] acetate CAS Name: acetic acid [(3R,4S)-5-hydroxy-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]hexan-3-yl] ester IUPAC Name: [(3R,4S)-5-hydroxy-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]hexan-3-yl] acetate Traditional Name: acetic acid [(1R,2S)-3-hydroxy-1-isopropyl-3-methyl-2-(tosylmethyl)butyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C(C(C)C)OC(=O)C)C(C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@@H]([C@@H](C(C)C)OC(=O)C)C(C)(C)O

InChI

InChI=1S/C18H28O5S/c1-12(2)17(23-14(4)19)16(18(5,6)20)11-24(21,22)15-9-7-13(3)8-10-15/h7-10,12,16-17,20H,11H2,1-6H3/t16-,17+/m0/s1