(S)-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitro-oxiran-2-yl]-phenyl-methanol

Systemtic Name: (S)-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitro-oxiran-2-yl]-phenyl-methanol Openeye Name: (S)-[(2R,3R)-3-nitro-3-(p-tolylsulfanyl)oxiran-2-yl]-phenyl-methanol CAS Name: (S)-[(2R,3R)-3-[(4-methylphenyl)thio]-3-nitro-2-oxiranyl]-phenylmethanol IUPAC Name: (S)-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitrooxiran-2-yl]-phenylmethanol Traditional Name: (S)-[(2R,3R)-3-nitro-3-(p-tolylthio)oxiran-2-yl]-phenyl-methanol Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C(O2)C(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S[C@]2([C@H](O2)[C@H](C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c1-11-7-9-13(10-8-11)22-16(17(19)20)15(21-16)14(18)12-5-3-2-4-6-12/h2-10,14-15,18H,1H3/t14-,15+,16+/m0/s1