methyl (2S,4R)-4-methyl-2-(4-methylphenyl)sulfonyloxy-5-nitro-pentanoate

Systemtic Name: methyl (2S,4R)-4-methyl-2-(4-methylphenyl)sulfonyloxy-5-nitro-pentanoate Openeye Name: methyl (2S,4R)-4-methyl-5-nitro-2-(p-tolylsulfonyloxy)pentanoate CAS Name: (2S,4R)-4-methyl-2-(4-methylphenyl)sulfonyloxy-5-nitropentanoic acid methyl ester IUPAC Name: methyl (2S,4R)-4-methyl-2-(4-methylphenyl)sulfonyloxy-5-nitropentanoate Traditional Name: (2S,4R)-4-methyl-5-nitro-2-tosyloxy-valeric acid methyl ester Formula: C14H19NO7S MolecularWeight: 345.36816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC(C)C[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO7S/c1-10-4-6-12(7-5-10)23(19,20)22-13(14(16)21-3)8-11(2)9-15(17)18/h4-7,11,13H,8-9H2,1-3H3/t11-,13+/m1/s1