4,8-dinitro-1,5,9,10-tetrakis(oxidanyl)-9,10-dihydroanthracene-2,6-disulfonic acid

Systemtic Name: 4,8-dinitro-1,5,9,10-tetrakis(oxidanyl)-9,10-dihydroanthracene-2,6-disulfonic acid Openeye Name: 1,5,9,10-tetrahydroxy-4,8-dinitro-9,10-dihydroanthracene-2,6-disulfonic acid CAS Name: 1,5,9,10-tetrahydroxy-4,8-dinitro-9,10-dihydroanthracene-2,6-disulfonic acid IUPAC Name: 1,5,9,10-tetrahydroxy-4,8-dinitro-9,10-dihydroanthracene-2,6-disulfonic acid Traditional Name: 1,5,9,10-tetrahydroxy-4,8-dinitro-9,10-dihydroanthracene-2,6-disulfonic acid Formula: C14H10N2O14S2 MolecularWeight: 494.3642

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(C3=C(C2O)C(=C(C=C3[N+](=O)[O-])S(=O)(=O)O)O)O)C(=C1S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C2=C(C(C3=C(C2O)C(=C(C=C3[N+](=O)[O-])S(=O)(=O)O)O)O)C(=C1S(=O)(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O14S2/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19/h1-2,13-14,17-20H,(H,25,26,27)(H,28,29,30)