5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid Openeye Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azo-benzenesulfonic acid CAS Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azobenzenesulfonic acid IUPAC Name: 5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid Traditional Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azo-besylic acid Formula: C16H17N5O7S MolecularWeight: 423.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C16H17N5O7S/c1-3-19(4-2)11-8-9-12(15(10-11)29(26,27)28)17-18-16-13(20(22)23)6-5-7-14(16)21(24)25/h5-10H,3-4H2,1-2H3,(H,26,27,28)