methyl (1R,2R)-2-(nitromethyl)-1-phenyl-butane-1-sulfonate

Systemtic Name: methyl (1R,2R)-2-(nitromethyl)-1-phenyl-butane-1-sulfonate Openeye Name: methyl (1R,2R)-2-(nitromethyl)-1-phenyl-butane-1-sulfonate CAS Name: (1R,2R)-2-(nitromethyl)-1-phenyl-1-butanesulfonic acid IUPAC Name: methyl (1R,2R)-2-(nitromethyl)-1-phenylbutane-1-sulfonate Traditional Name: (1R,2R)-2-(nitromethyl)-1-phenyl-butane-1-sulfonic acid methyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-3-10(9-13(14)15)12(19(16,17)18-2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12-/m1/s1