3,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid

Systemtic Name: 3,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,7-disulfonic acid Openeye Name: 1,8-dihydroxy-3,5-dinitro-9,10-dioxo-anthracene-2,7-disulfonic acid CAS Name: 1,8-dihydroxy-3,5-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid IUPAC Name: 1,8-dihydroxy-3,5-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid Traditional Name: 1,8-dihydroxy-9,10-diketo-3,5-dinitro-anthracene-2,7-disulfonic acid Formula: C14H6N2O14S2 MolecularWeight: 490.33244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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