12-[(5-bromanyl-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium

Systemtic Name: 12-[(5-bromanyl-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium Openeye Name: 12-[(5-bromo-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium CAS Name: 12-[(5-bromo-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium IUPAC Name: 12-[(5-bromo-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium Traditional Name: 12-[(5-bromo-5-nitro-1,3-dioxan-2-yl)methoxy]-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium Formula: C27H28BrN2O9+ MolecularWeight: 604.42322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OC)OCC5OCC(CO5)([N+](=O)[O-])Br)OC)OC

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OC)OCC5OCC(CO5)([N+](=O)[O-])Br)OC)OC

InChI

InChI=1S/C27H28BrN2O9/c1-29-11-15-6-21(33-2)22(34-3)7-16(15)18-9-20(37-12-25-38-13-27(28,14-39-25)30(31)32)17-8-23(35-4)24(36-5)10-19(17)26(18)29/h6-11,25H,12-14H2,1-5H3/q+1