sulfurofluoridic acid; (3,8,9-triacetyloxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) ethanoate

Systemtic Name: sulfurofluoridic acid; (3,8,9-triacetyloxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) ethanoate Openeye Name: sulfurofluoridic acid; (3,8,9-triacetoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) acetate CAS Name: acetic acid (3,8,9-triacetyloxy-5-methyl-2-benzo[c]phenanthridin-5-iumyl) ester; sulfurofluoridic acid IUPAC Name: sulfurofluoridic acid; (3,8,9-triacetyloxy-5-methylbenzo[c]phenanthridin-5-ium-2-yl) acetate Traditional Name: acetic acid (3,8,9-triacetoxy-5-methyl-benzo[c]phenanthridin-5-ium-2-yl) ester; sulfurofluoridic acid Formula: C26H23FNO11S+ MolecularWeight: 576.524323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C)OC(=O)C.OS(=O)(=O)F

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C)OC(=O)C.OS(=O)(=O)F

InChI

InChI=1S/C26H22NO8.FHO3S/c1-13(28)32-22-8-17-6-7-19-20-10-24(34-15(3)30)23(33-14(2)29)9-18(20)12-27(5)26(19)21(17)11-25(22)35-16(4)31;1-5(2,3)4/h6-12H,1-5H3;(H,2,3,4)/q+1;