sodium 4-[[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]diazenyl]benzenesulfonate Openeye Name: sodium 4-[(9,10-dioxo-2-anthryl)amino]azobenzenesulfonate CAS Name: sodium 4-[(9,10-dioxo-2-anthracenyl)amino]azobenzenesulfonate IUPAC Name: sodium 4-[[(9,10-dioxoanthracen-2-yl)amino]diazenyl]benzenesulfonate Traditional Name: sodium 4-[(9,10-diketo-2-anthryl)amino]azobesylate Formula: C20H12N3NaO5S MolecularWeight: 429.38115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NN=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NN=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H13N3O5S.Na/c24-19-15-3-1-2-4-16(15)20(25)18-11-13(7-10-17(18)19)22-23-21-12-5-8-14(9-6-12)29(26,27)28;/h1-11H,(H,21,22)(H,26,27,28);/q;+1/p-1