sodium 2-[[4,5-bis(azanyl)naphthalen-1-yl]diazenyl]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[[4,5-bis(azanyl)naphthalen-1-yl]diazenyl]-5-nitro-benzenesulfonate Openeye Name: sodium 2-[(4,5-diamino-1-naphthyl)azo]-5-nitro-benzenesulfonate CAS Name: sodium 2-[(4,5-diamino-1-naphthalenyl)azo]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[(4,5-diaminonaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate Traditional Name: sodium 2-[(4,5-diamino-1-naphthyl)azo]-5-nitro-besylate Formula: C16H12N5NaO5S MolecularWeight: 409.35175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)N)N)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)N)N)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H13N5O5S.Na/c17-11-3-1-2-10-13(7-5-12(18)16(10)11)19-20-14-6-4-9(21(22)23)8-15(14)27(24,25)26;/h1-8H,17-18H2,(H,24,25,26);/q;+1/p-1