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

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylazanylphenyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-anilinoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-anilinoanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C26H18N3NaO5S MolecularWeight: 507.49299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=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)NC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H19N3O5S.Na/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15;/h1-14,28-29H,27H2,(H,32,33,34);/q;+1/p-1