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

Systemtic Name: sodium 4,8-dinitro-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1,5-dihydroxy-9,10-diketo-4,8-dinitro-anthracene-2-sulfonate Formula: C14H5N2NaO11S MolecularWeight: 432.25107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])O.[Na+]

InChI

InChI=1S/C14H6N2O11S.Na/c17-6-2-1-4(15(21)22)8-10(6)13(19)9-5(16(23)24)3-7(28(25,26)27)12(18)11(9)14(8)20;/h1-3,17-18H,(H,25,26,27);/q;+1/p-1