methyl (1R,2R)-3-methyl-2-(nitromethyl)-1-phenyl-butane-1-sulfonate

Systemtic Name: methyl (1R,2R)-3-methyl-2-(nitromethyl)-1-phenyl-butane-1-sulfonate Openeye Name: methyl (1R,2R)-3-methyl-2-(nitromethyl)-1-phenyl-butane-1-sulfonate CAS Name: (1R,2R)-3-methyl-2-(nitromethyl)-1-phenyl-1-butanesulfonic acid IUPAC Name: methyl (1R,2R)-3-methyl-2-(nitromethyl)-1-phenylbutane-1-sulfonate Traditional Name: (1R,2R)-3-methyl-2-(nitromethyl)-1-phenyl-butane-1-sulfonic acid methyl ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5S/c1-10(2)12(9-14(15)16)13(20(17,18)19-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13-/m0/s1