methyl (1R,2R)-2-(nitromethyl)-1,4-diphenyl-butane-1-sulfonate

Systemtic Name: methyl (1R,2R)-2-(nitromethyl)-1,4-diphenyl-butane-1-sulfonate Openeye Name: methyl (1R,2R)-2-(nitromethyl)-1,4-diphenyl-butane-1-sulfonate CAS Name: (1R,2R)-2-(nitromethyl)-1,4-diphenyl-1-butanesulfonic acid IUPAC Name: methyl (1R,2R)-2-(nitromethyl)-1,4-diphenylbutane-1-sulfonate Traditional Name: (1R,2R)-2-(nitromethyl)-1,4-diphenyl-butane-1-sulfonic acid methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C(C1=CC=CC=C1)C(CCC2=CC=CC=C2)C[N+](=O)[O-]

Isomeric SMILES

COS(=O)(=O)[C@@H](C1=CC=CC=C1)[C@H](CCC2=CC=CC=C2)C[N+](=O)[O-]

InChI

InChI=1S/C18H21NO5S/c1-24-25(22,23)18(16-10-6-3-7-11-16)17(14-19(20)21)13-12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18+/m1/s1