sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylsulfanylphenyl)amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylsulfanylphenyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(4-phenylsulfanylanilino)anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[4-(phenylthio)anilino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-(4-phenylsulfanylanilino)anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[4-(phenylthio)anilino]anthracene-2-sulfonate Formula: C26H17N2NaO5S2 MolecularWeight: 524.54335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H18N2O5S2.Na/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-9-5-4-8-18(19)25(22)29)28-15-10-12-17(13-11-15)34-16-6-2-1-3-7-16;/h1-14,28H,27H2,(H,31,32,33);/q;+1/p-1