methanesulfonic acid; 2,3,8,9-tetramethoxy-5-methyl-12-phenylmethoxy-benzo[c]phenanthridin-5-ium

Systemtic Name: methanesulfonic acid; 2,3,8,9-tetramethoxy-5-methyl-12-phenylmethoxy-benzo[c]phenanthridin-5-ium Openeye Name: 12-benzyloxy-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methanesulfonic acid CAS Name: methanesulfonic acid; 2,3,8,9-tetramethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium IUPAC Name: methanesulfonic acid; 2,3,8,9-tetramethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium Traditional Name: 12-benzoxy-2,3,8,9-tetramethoxy-5-methyl-benzo[c]phenanthridin-5-ium; mesylic acid Formula: C30H32NO8S+ MolecularWeight: 566.64198

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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)OCC5=CC=CC=C5)OC)OC.CS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OC)OCC5=CC=CC=C5)OC)OC.CS(=O)(=O)O

InChI

InChI=1S/C29H28NO5.CH4O3S/c1-30-16-19-11-25(31-2)26(32-3)12-20(19)22-14-24(35-17-18-9-7-6-8-10-18)21-13-27(33-4)28(34-5)15-23(21)29(22)30;1-5(2,3)4/h6-16H,17H2,1-5H3;1H3,(H,2,3,4)/q+1;