4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-diazonium sulfate

Systemtic Name: 4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-diazonium sulfate Openeye Name: 4-[(5-sulfo-1-naphthyl)azo]naphthalene-1-diazonium sulfate CAS Name: 4-[(5-sulfo-1-naphthalenyl)azo]-1-naphthalenediazonium sulfate IUPAC Name: 4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-diazonium sulfate Traditional Name: 4-[(5-sulfo-1-naphthyl)azo]naphthalene-1-diazonium sulfate Formula: C40H26N8O10S3 MolecularWeight: 874.87704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C20H12N4O3S.H2O4S/c2*21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27;1-5(2,3)4/h2*1-12H;(H2,1,2,3,4)