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

Systemtic Name: butyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: butyl 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 butyl ester; perchloric acid; perchlorate IUPAC Name: butyl 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 butyl ester; perchloric acid; perchlorate Formula: C22H29Cl2NO9S2 MolecularWeight: 586.50296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NOS2.2ClHO4/c1-5-6-15-24-17(2)23-22(3,4)16-26-20-13-9-7-11-18(20)25-19-12-8-10-14-21(19)26;2*2-1(3,4)5/h7-14H,5-6,15-16H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1