4-(dodecylamino)-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(dodecylamino)-3-nitro-benzenesulfonic acid Openeye Name: 4-(dodecylamino)-3-nitro-benzenesulfonic acid CAS Name: 4-(dodecylamino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(dodecylamino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(laurylamino)-3-nitro-besylic acid Formula: C18H30N2O5S MolecularWeight: 386.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5S/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)