1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentakis(oxidanyl)-6-oxidanylidene-benzo[c]chromene-1-carboxylate

Systemtic Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentakis(oxidanyl)-6-oxidanylidene-benzo[c]chromene-1-carboxylate Openeye Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentahydroxy-6-oxo-benzo[c]chromene-1-carboxylate CAS Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentahydroxy-6-oxo-1-benzo[c][1]benzopyrancarboxylate IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentahydroxy-6-oxobenzo[c]chromene-1-carboxylate Traditional Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; 3,4,8,9,10-pentahydroxy-6-keto-benzo[c]chromene-1-carboxylate Formula: C35H25NO13 MolecularWeight: 667.5719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)[O-])O)O)OC2=O

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)[O-])O)O)OC2=O

InChI

InChI=1S/C21H18NO4.C14H8O9/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;15-5-2-4-7(11(19)9(5)17)8-3(13(20)21)1-6(16)10(18)12(8)23-14(4)22/h4-10H,11H2,1-3H3;1-2,15-19H,(H,20,21)/q+1;/p-1