(7-acetyloxy-2,3,9,10-tetramethoxy-5,6-dimethyl-benzo[b]phenanthridin-6-ium-12-yl) ethanoate

Systemtic Name: (7-acetyloxy-2,3,9,10-tetramethoxy-5,6-dimethyl-benzo[b]phenanthridin-6-ium-12-yl) ethanoate Openeye Name: (7-acetoxy-2,3,9,10-tetramethoxy-5,6-dimethyl-benzo[b]phenanthridin-6-ium-12-yl) acetate CAS Name: acetic acid (7-acetyloxy-2,3,9,10-tetramethoxy-5,6-dimethyl-12-benzo[b]phenanthridin-6-iumyl) ester IUPAC Name: (7-acetyloxy-2,3,9,10-tetramethoxy-5,6-dimethylbenzo[b]phenanthridin-6-ium-12-yl) acetate Traditional Name: acetic acid (7-acetoxy-2,3,9,10-tetramethoxy-5,6-dimethyl-benzo[b]phenanthridin-6-ium-12-yl) ester Formula: C27H28NO8+ MolecularWeight: 494.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C3=CC(=C(C=C3C(=C2C4=CC(=C(C=C14)OC)OC)OC(=O)C)OC)OC)OC(=O)C)C

Isomeric SMILES

CC1=[N+](C2=C(C3=CC(=C(C=C3C(=C2C4=CC(=C(C=C14)OC)OC)OC(=O)C)OC)OC)OC(=O)C)C

InChI

InChI=1S/C27H28NO8/c1-13-16-9-20(31-5)21(32-6)10-17(16)24-25(28(13)4)27(36-15(3)30)19-12-23(34-8)22(33-7)11-18(19)26(24)35-14(2)29/h9-12H,1-8H3/q+1