3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propylsulfonyloxyazanium

Systemtic Name: 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propylsulfonyloxyazanium Openeye Name: 3-(N-dodecyl-3-methyl-4-nitro-anilino)propylsulfonyloxyammonium CAS Name: 3-(N-dodecyl-3-methyl-4-nitroanilino)propylsulfonyloxyammonium IUPAC Name: 3-(N-dodecyl-3-methyl-4-nitroanilino)propylsulfonyloxyazanium Traditional Name: 3-(N-lauryl-3-methyl-4-nitro-anilino)propylsulfonyloxyammonium Formula: C22H40N3O5S+ MolecularWeight: 458.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)O[NH3+])C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)O[NH3+])C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C22H40N3O5S/c1-3-4-5-6-7-8-9-10-11-12-16-24(17-13-18-31(28,29)30-23)21-14-15-22(25(26)27)20(2)19-21/h14-15,19H,3-13,16-18H2,1-2,23H3/q+1