4-[(4-azanyl-8-nitro-naphthalen-1-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-8-nitro-naphthalen-1-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(4-amino-8-nitro-1-naphthyl)azo]benzenesulfonic acid CAS Name: 4-[(4-amino-8-nitro-1-naphthalenyl)azo]benzenesulfonic acid IUPAC Name: 4-[(4-amino-8-nitronaphthalen-1-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(4-amino-8-nitro-1-naphthyl)azo]besylic acid Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O5S/c17-13-8-9-14(16-12(13)2-1-3-15(16)20(21)22)19-18-10-4-6-11(7-5-10)26(23,24)25/h1-9H,17H2,(H,23,24,25)