4,5-dinitro-1,8-bis(oxidanyl)-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxy-anthracene-9,10-dione

Systemtic Name: 4,5-dinitro-1,8-bis(oxidanyl)-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxy-anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-4,5-dinitro-2-(6-thioxocyclohexa-1,3-dien-1-yl)oxy-anthracene-9,10-dione CAS Name: 1,8-dihydroxy-4,5-dinitro-2-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]anthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-4,5-dinitro-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyanthracene-9,10-dione Traditional Name: 1,8-dihydroxy-4,5-dinitro-2-(6-thioxocyclohexa-1,3-dien-1-yl)oxy-9,10-anthraquinone Formula: C20H10N2O9S MolecularWeight: 454.3664

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)OC2=C(C3=C(C(=C2)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1C=CC=C(C1=S)OC2=C(C3=C(C(=C2)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C20H10N2O9S/c23-10-6-5-8(21(27)28)14-16(10)20(26)17-15(19(14)25)9(22(29)30)7-12(18(17)24)31-11-3-1-2-4-13(11)32/h1-3,5-7,23-24H,4H2