3,4-dinitro-5,6-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-disulfonic acid

Systemtic Name: 3,4-dinitro-5,6-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-disulfonic acid Openeye Name: 5,6-dihydroxy-3,4-dinitro-9,10-dioxo-anthracene-1,2-disulfonic acid CAS Name: 5,6-dihydroxy-3,4-dinitro-9,10-dioxoanthracene-1,2-disulfonic acid IUPAC Name: 5,6-dihydroxy-3,4-dinitro-9,10-dioxoanthracene-1,2-disulfonic acid Traditional Name: 5,6-dihydroxy-9,10-diketo-3,4-dinitro-anthracene-1,2-disulfonic acid Formula: C14H6N2O14S2 MolecularWeight: 490.33244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=O)C3=C(C2=O)C(=C(C(=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C2=C1C(=O)C3=C(C2=O)C(=C(C(=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O)O

InChI

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