sodium 4-(dodecylamino)-3-nitro-benzenesulfonate

Systemtic Name: sodium 4-(dodecylamino)-3-nitro-benzenesulfonate Openeye Name: sodium 4-(dodecylamino)-3-nitro-benzenesulfonate CAS Name: sodium 4-(dodecylamino)-3-nitrobenzenesulfonate IUPAC Name: sodium 4-(dodecylamino)-3-nitrobenzenesulfonate Traditional Name: sodium 4-(laurylamino)-3-nitro-besylate Formula: C18H29N2NaO5S MolecularWeight: 408.48803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=C(C=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCNC1=C(C=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C18H30N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-19-17-13-12-16(26(23,24)25)15-18(17)20(21)22;/h12-13,15,19H,2-11,14H2,1H3,(H,23,24,25);/q;+1/p-1