4-[hexadecyl(methyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[hexadecyl(methyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-[hexadecyl(methyl)amino]-3-nitro-benzenesulfonic acid CAS Name: 4-[hexadecyl(methyl)amino]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[hexadecyl(methyl)amino]-3-nitrobenzenesulfonic acid Traditional Name: 4-[cetyl(methyl)amino]-3-nitro-besylic acid Formula: C23H40N2O5S MolecularWeight: 456.6391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(2)22-18-17-21(31(28,29)30)20-23(22)25(26)27/h17-18,20H,3-16,19H2,1-2H3,(H,28,29,30)