zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrakis(oxidanyl)-6-oxidanylidene-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate

Systemtic Name: zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrakis(oxidanyl)-6-oxidanylidene-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate Openeye Name: zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate CAS Name: zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate IUPAC Name: zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate Traditional Name: zinc [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrahydroxy-6-keto-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] phosphate Formula: C14H14NO11PZn MolecularWeight: 468.643821

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)OP(=O)([O-])[O-])NC3=O)O.[Zn+2]

Isomeric SMILES

C1OC2=C(O1)C(=C3C(=C2)[C@@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)OP(=O)([O-])[O-])NC3=O)O.[Zn+2]

InChI

InChI=1S/C14H16NO11P.Zn/c16-8-5-3-1-4-12(25-2-24-4)9(17)6(3)14(20)15-7(5)13(11(19)10(8)18)26-27(21,22)23;/h1,5,7-8,10-11,13,16-19H,2H2,(H,15,20)(H2,21,22,23);/q;+2/p-2/t5-,7-,8-,10+,11-,13+;/m1./s1