5,6-diazidocyclohex-2-ene-1,4-dione; (1,2-diazido-4-oxidanylidene-naphthalen-1-yl) hydrogen sulfate

Systemtic Name: 5,6-diazidocyclohex-2-ene-1,4-dione; (1,2-diazido-4-oxidanylidene-naphthalen-1-yl) hydrogen sulfate Openeye Name: 5,6-diazidocyclohex-2-ene-1,4-dione; (1,2-diazido-4-oxo-1-naphthyl) hydrogen sulfate CAS Name: 5,6-diazidocyclohex-2-ene-1,4-dione; sulfuric acid (1,2-diazido-4-oxo-1-naphthalenyl) ester IUPAC Name: 5,6-diazidocyclohex-2-ene-1,4-dione; (1,2-diazido-4-oxonaphthalen-1-yl) hydrogen sulfate Traditional Name: 5,6-diazidocyclohex-2-ene-1,4-quinone; sulfuric acid (1,2-diazido-4-keto-1-naphthyl) ester Formula: C16H10N12O7S MolecularWeight: 514.3918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(C2(N=[N+]=[N-])OS(=O)(=O)O)N=[N+]=[N-].C1=CC(=O)C(C(C1=O)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2(N=[N+]=[N-])OS(=O)(=O)O)N=[N+]=[N-].C1=CC(=O)C(C(C1=O)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C10H6N6O5S.C6H4N6O2/c11-15-13-9-5-8(17)6-3-1-2-4-7(6)10(9,14-16-12)21-22(18,19)20;7-11-9-5-3(13)1-2-4(14)6(5)10-12-8/h1-5H,(H,18,19,20);1-2,5-6H