disodium 4,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,7-disulfonate

Systemtic Name: disodium 4,5-dinitro-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,7-disulfonate Openeye Name: disodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-anthracene-2,7-disulfonate CAS Name: disodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulfonate IUPAC Name: disodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulfonate Traditional Name: disodium 1,8-dihydroxy-9,10-diketo-4,5-dinitro-anthracene-2,7-disulfonate Formula: C14H4N2Na2O14S2 MolecularWeight: 534.2961

Click to see the large picture

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+].[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+].[Na+]

InChI

InChI=1S/C14H6N2O14S2.2Na/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;2*+1/p-2