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

Systemtic Name: sodium 4,8-dinitro-5-oxidanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: sodium 5-hydroxy-4,8-dinitro-9,10-dioxo-anthracene-1-sulfonate CAS Name: sodium 5-hydroxy-4,8-dinitro-9,10-dioxo-1-anthracenesulfonate IUPAC Name: sodium 5-hydroxy-4,8-dinitro-9,10-dioxoanthracene-1-sulfonate Traditional Name: sodium 5-hydroxy-9,10-diketo-4,8-dinitro-anthracene-1-sulfonate Formula: C14H5N2NaO10S MolecularWeight: 416.25167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H6N2O10S.Na/c17-7-3-1-5(15(20)21)9-11(7)13(18)10-6(16(22)23)2-4-8(27(24,25)26)12(10)14(9)19;/h1-4,17H,(H,24,25,26);/q;+1/p-1