sodium 4-[(4-azanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid

Systemtic Name: sodium 4-[(4-azanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid Openeye Name: sodium 4-[(4-amino-1-naphthyl)azo]benzenesulfonic acid CAS Name: sodium 4-[(4-amino-1-naphthalenyl)azo]benzenesulfonic acid IUPAC Name: sodium 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid Traditional Name: sodium 4-[(4-amino-1-naphthyl)azo]besylic acid Formula: C16H13N3NaO3S+ MolecularWeight: 350.34749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)N.[Na+]

InChI

InChI=1S/C16H13N3O3S.Na/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1