sodium 1,4-bis(azanyl)-3-(4-azanylphenoxy)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1,4-bis(azanyl)-3-(4-azanylphenoxy)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1,4-diamino-3-(4-aminophenoxy)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1,4-diamino-3-(4-aminophenoxy)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1,4-diamino-3-(4-aminophenoxy)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1,4-diamino-3-(4-aminophenoxy)-9,10-diketo-anthracene-2-sulfonate Formula: C20H14N3NaO6S MolecularWeight: 447.39643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)OC4=CC=C(C=C4)N)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)OC4=CC=C(C=C4)N)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H15N3O6S.Na/c21-9-5-7-10(8-6-9)29-19-15(22)13-14(16(23)20(19)30(26,27)28)18(25)12-4-2-1-3-11(12)17(13)24;/h1-8H,21-23H2,(H,26,27,28);/q;+1/p-1