4,8-dinitro-3,7-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 4,8-dinitro-3,7-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 3,7-dihydroxy-4,8-dinitro-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 3,7-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 3,7-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 3,7-dihydroxy-9,10-diketo-4,8-dinitro-anthracene-2,6-disulfonic acid Formula: C14H6N2O14S2 MolecularWeight: 490.33244

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1S(=O)(=O)O)O)[N+](=O)[O-])C(=O)C3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)S(=O)(=O)O

Isomeric SMILES

C1=C2C(=C(C(=C1S(=O)(=O)O)O)[N+](=O)[O-])C(=O)C3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)S(=O)(=O)O

InChI

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