sodium 1,5-bis(azanyl)-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1,5-bis(azanyl)-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1,5-diamino-4-bromo-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1,5-diamino-4-bromo-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1,5-diamino-4-bromo-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1,5-diamino-4-bromo-9,10-diketo-anthracene-2-sulfonate Formula: C14H8BrN2NaO5S MolecularWeight: 419.18249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C14H9BrN2O5S.Na/c15-6-4-8(23(20,21)22)12(17)11-10(6)14(19)9-5(13(11)18)2-1-3-7(9)16;/h1-4H,16-17H2,(H,20,21,22);/q;+1/p-1