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

Systemtic Name: sodium 1,4-bis(azanyl)-9,10-bis(oxidanylidene)-3-phenoxy-anthracene-2-sulfonate Openeye Name: sodium 1,4-diamino-9,10-dioxo-3-phenoxy-anthracene-2-sulfonate CAS Name: sodium 1,4-diamino-9,10-dioxo-3-phenoxy-2-anthracenesulfonate IUPAC Name: sodium 1,4-diamino-9,10-dioxo-3-phenoxyanthracene-2-sulfonate Traditional Name: sodium 1,4-diamino-9,10-diketo-3-phenoxy-anthracene-2-sulfonate Formula: C20H13N2NaO6S MolecularWeight: 432.38179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C3=C(C(=C2S(=O)(=O)[O-])N)C(=O)C4=CC=CC=C4C3=O)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C3=C(C(=C2S(=O)(=O)[O-])N)C(=O)C4=CC=CC=C4C3=O)N.[Na+]

InChI

InChI=1S/C20H14N2O6S.Na/c21-15-13-14(18(24)12-9-5-4-8-11(12)17(13)23)16(22)20(29(25,26)27)19(15)28-10-6-2-1-3-7-10;/h1-9H,21-22H2,(H,25,26,27);/q;+1/p-1