(6aS,8Z,10aS,11aR)-8-[azanyl(oxidanyl)methylidene]-3-diazonio-1-(dimethylamino)-4,6a-bis(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate

Systemtic Name: (6aS,8Z,10aS,11aR)-8-[azanyl(oxidanyl)methylidene]-3-diazonio-1-(dimethylamino)-4,6a-bis(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Openeye Name: (6aS,8Z,10aS,11aR)-8-[amino(hydroxy)methylene]-3-diazonio-1-(dimethylamino)-4,6a-dihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate CAS Name: (6aS,8Z,10aS,11aR)-8-[amino(hydroxy)methylidene]-3-diazonio-1-(dimethylamino)-4,6a-dihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate IUPAC Name: (6aS,8Z,10aS,11aR)-8-[amino(hydroxy)methylidene]-3-diazonio-1-(dimethylamino)-4,6a-dihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Traditional Name: (6aS,8Z,10aS,11aR)-8-[amino(hydroxy)methylene]-3-diazonio-1-(dimethylamino)-4,6a-dihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2CC3CC4CC(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C(C2=C(C(=C1)[N+]#N)O)[O-])O

Isomeric SMILES

CN(C)C1=C2C[C@H]3C[C@H]4CC(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C(C(=C1)[N+]#N)O)[O-])O

InChI

InChI=1S/C21H20N4O7/c1-25(2)11-6-10(24-23)16(27)14-9(11)4-7-3-8-5-12(26)15(20(22)31)19(30)21(8,32)18(29)13(7)17(14)28/h6-8,32H,3-5H2,1-2H3,(H4-,22,26,27,28,29,30,31)/t7-,8+,21+/m1/s1