sodium 4,8-bis(methylamino)-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 4,8-bis(methylamino)-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1,5-dihydroxy-9,10-diketo-4,8-bis(methylamino)anthracene-2-sulfonate Formula: C16H13N2NaO7S MolecularWeight: 400.33839

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3NC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3NC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H14N2O7S.Na/c1-17-6-3-4-8(19)12-10(6)16(22)13-11(15(12)21)7(18-2)5-9(14(13)20)26(23,24)25;/h3-5,17-20H,1-2H3,(H,23,24,25);/q;+1/p-1