methyl hydrogen sulfate; 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium

Systemtic Name: methyl hydrogen sulfate; 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium Openeye Name: methyl hydrogen sulfate; 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium CAS Name: sulfuric acid methyl ester; 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium IUPAC Name: methyl hydrogen sulfate; 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium Traditional Name: sulfuric acid methyl ester; 2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium Formula: C23H26NO8S+ MolecularWeight: 476.51944

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.COS(=O)(=O)O

InChI

InChI=1S/C22H22NO4.CH4O4S/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23;1-5-6(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;