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

Systemtic Name: (6aS,8Z,10aR,11R,11aR,12R)-8-[azanyl(oxidanyl)methylidene]-3-diazonio-1-(dimethylamino)-12-methyl-4,6a,11-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Openeye Name: (6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylene]-3-diazonio-1-(dimethylamino)-4,6a,11-trihydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate CAS Name: (6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylidene]-3-diazonio-1-(dimethylamino)-4,6a,11-trihydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate IUPAC Name: (6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylidene]-3-diazonio-1-(dimethylamino)-4,6a,11-trihydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Traditional Name: (6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylene]-3-diazonio-1-(dimethylamino)-4,6a,11-trihydroxy-6,7,9-triketo-12-methyl-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate Formula: C22H22N4O8 MolecularWeight: 470.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3CC(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C(C(=CC(=C14)N(C)C)[N+]#N)O)[O-])O)O

Isomeric SMILES

C[C@@H]1[C@H]2[C@H]([C@H]3CC(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C(=CC(=C14)N(C)C)[N+]#N)O)[O-])O)O

InChI

InChI=1S/C22H22N4O8/c1-6-11-9(26(2)3)5-8(25-24)17(29)14(11)18(30)15-12(6)16(28)7-4-10(27)13(21(23)33)19(31)22(7,34)20(15)32/h5-7,12,16,28,34H,4H2,1-3H3,(H4-,23,27,29,30,31,32,33)/t6-,7+,12+,16-,22+/m0/s1