(12-ethoxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) octanoate iodide

Systemtic Name: (12-ethoxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) octanoate iodide Openeye Name: (12-ethoxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) octanoate iodide CAS Name: octanoic acid (12-ethoxy-3,8,9-trimethoxy-5-methyl-2-benzo[c]phenanthridin-5-iumyl) ester iodide IUPAC Name: (12-ethoxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-yl) octanoate iodide Traditional Name: caprylic acid (12-ethoxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) ester iodide Formula: C31H38INO6 MolecularWeight: 647.54099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC2=C(C=C3C4=CC(=C(C=C4C=[N+](C3=C2C=C1OC)C)OC)OC)OCC.[I-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC2=C(C=C3C4=CC(=C(C=C4C=[N+](C3=C2C=C1OC)C)OC)OC)OCC.[I-]

InChI

InChI=1S/C31H38NO6.HI/c1-7-9-10-11-12-13-30(33)38-29-16-22-24(18-28(29)36-6)31-23(17-25(22)37-8-2)21-15-27(35-5)26(34-4)14-20(21)19-32(31)3;/h14-19H,7-13H2,1-6H3;1H/q+1;/p-1