sodium 9,10-bis(oxidanylidene)-7-[[oxidanyl(phenyl)amino]diazenyl]anthracene-2-sulfonate

Systemtic Name: sodium 9,10-bis(oxidanylidene)-7-[[oxidanyl(phenyl)amino]diazenyl]anthracene-2-sulfonate Openeye Name: sodium 7-(N-hydroxyanilino)azo-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 7-(N-hydroxyanilino)azo-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 7-[(N-hydroxyanilino)diazenyl]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 7-(N-hydroxyanilino)azo-9,10-diketo-anthracene-2-sulfonate Formula: C20H12N3NaO6S MolecularWeight: 445.38055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(N=NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(N=NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H13N3O6S.Na/c24-19-15-8-6-12(21-22-23(26)13-4-2-1-3-5-13)10-17(15)20(25)18-11-14(30(27,28)29)7-9-16(18)19;/h1-11,26H,(H,27,28,29);/q;+1/p-1