cyclohexyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate; perchloric acid; perchlorate

Systemtic Name: cyclohexyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: cyclohexyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)ethanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)propan-2-yl]ethanimidic acid cyclohexyl ester; perchloric acid; perchlorate IUPAC Name: cyclohexyl N-(2-methyl-1-thianthren-5-ium-5-ylpropan-2-yl)ethanimidate; perchloric acid; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)acetimidic acid cyclohexyl ester; perchloric acid; perchlorate Formula: C24H31Cl2NO9S2 MolecularWeight: 612.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC4CCCCC4.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=NC(C)(C)C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)OC4CCCCC4.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H30NOS2.2ClHO4/c1-18(26-19-11-5-4-6-12-19)25-24(2,3)17-28-22-15-9-7-13-20(22)27-21-14-8-10-16-23(21)28;2*2-1(3,4)5/h7-10,13-16,19H,4-6,11-12,17H2,1-3H3;2*(H,2,3,4,5)/q+1;;/p-1