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

Systemtic Name: azanium sodium 4,8-bis(methylamino)-1-oxidanidyl-5-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: ammonium sodium 5-hydroxy-4,8-bis(methylamino)-1-oxido-9,10-dioxo-anthracene-2-sulfonate CAS Name: ammonium sodium 5-hydroxy-4,8-bis(methylamino)-1-oxido-9,10-dioxo-2-anthracenesulfonate IUPAC Name: azanium sodium 5-hydroxy-4,8-bis(methylamino)-1-oxido-9,10-dioxoanthracene-2-sulfonate Traditional Name: ammonium sodium 5-hydroxy-9,10-diketo-4,8-bis(methylamino)-1-oxido-anthracene-2-sulfonate Formula: C16H16N3NaO7S MolecularWeight: 417.36891

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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-].[NH4+].[Na+]

Isomeric SMILES

CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3NC)S(=O)(=O)[O-])[O-].[NH4+].[Na+]

InChI

InChI=1S/C16H14N2O7S.H3N.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);1H3;/q;;+1/p-1