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

Systemtic Name: methyl (1R,2R)-2-(nitromethyl)-1-phenyl-pentane-1-sulfonate Openeye Name: methyl (1R,2R)-2-(nitromethyl)-1-phenyl-pentane-1-sulfonate CAS Name: (1R,2R)-2-(nitromethyl)-1-phenyl-1-pentanesulfonic acid IUPAC Name: methyl (1R,2R)-2-(nitromethyl)-1-phenylpentane-1-sulfonate Traditional Name: (1R,2R)-2-(nitromethyl)-1-phenyl-pentane-1-sulfonic acid methyl ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5S/c1-3-7-12(10-14(15)16)13(20(17,18)19-2)11-8-5-4-6-9-11/h4-6,8-9,12-13H,3,7,10H2,1-2H3/t12-,13+/m1/s1