azanium (2,3-dimethyl-1-phenyl-nonadecan-2-yl) 3-nitrobenzenesulfonate

Systemtic Name: azanium (2,3-dimethyl-1-phenyl-nonadecan-2-yl) 3-nitrobenzenesulfonate Openeye Name: ammonium (1-benzyl-1,2-dimethyl-octadecyl) 3-nitrobenzenesulfonate CAS Name: ammonium 3-nitrobenzenesulfonic acid (2,3-dimethyl-1-phenylnonadecan-2-yl) ester IUPAC Name: azanium (2,3-dimethyl-1-phenylnonadecan-2-yl) 3-nitrobenzenesulfonate Traditional Name: ammonium 3-nitrobenzenesulfonic acid (1-benzyl-1,2-dimethyl-octadecyl) ester Formula: C33H55N2O5S+ MolecularWeight: 591.8652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(C)(CC1=CC=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(C)(CC1=CC=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C33H51NO5S.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-29(2)33(3,28-30-23-19-17-20-24-30)39-40(37,38)32-26-21-25-31(27-32)34(35)36;/h17,19-21,23-27,29H,4-16,18,22,28H2,1-3H3;1H3/p+1