(1S)-2-methyl-1-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitro-oxiran-2-yl]propan-1-ol

Systemtic Name: (1S)-2-methyl-1-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitro-oxiran-2-yl]propan-1-ol Openeye Name: (1S)-2-methyl-1-[(2R,3R)-3-nitro-3-(p-tolylsulfanyl)oxiran-2-yl]propan-1-ol CAS Name: (1S)-2-methyl-1-[(2R,3R)-3-[(4-methylphenyl)thio]-3-nitro-2-oxiranyl]-1-propanol IUPAC Name: (1S)-2-methyl-1-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitrooxiran-2-yl]propan-1-ol Traditional Name: (1S)-2-methyl-1-[(2R,3R)-3-nitro-3-(p-tolylthio)oxiran-2-yl]propan-1-ol Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C(O2)C(C(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S[C@]2([C@H](O2)[C@H](C(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4S/c1-8(2)11(15)12-13(18-12,14(16)17)19-10-6-4-9(3)5-7-10/h4-8,11-12,15H,1-3H3/t11-,12+,13+/m0/s1