sodium 4,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-7-sulfo-anthracene-2-sulfonate

Systemtic Name: sodium 4,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-7-sulfo-anthracene-2-sulfonate Openeye Name: sodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfo-anthracene-2-sulfonate CAS Name: sodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfo-2-anthracenesulfonate IUPAC Name: sodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfoanthracene-2-sulfonate Traditional Name: sodium 1,8-dihydroxy-9,10-diketo-4,5-dinitro-7-sulfo-anthracene-2-sulfonate Formula: C14H5N2NaO14S2 MolecularWeight: 512.31427

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H6N2O14S2.Na/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);/q;+1/p-1