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

Systemtic Name: butyl N-(2-methyl-1-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: butyl N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]ethanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid butyl ester; perchloric acid; perchlorate IUPAC Name: butyl N-(2-methyl-1-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate; perchloric acid; perchlorate Traditional Name: N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)propyl]acetimidic acid butyl ester; perchloric acid; perchlorate Formula: C23H31Cl2NO9S2 MolecularWeight: 600.52954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NOS2.2ClHO4/c1-5-7-16-25-18(3)24-23(4,6-2)17-27-21-14-10-8-12-19(21)26-20-13-9-11-15-22(20)27;2*2-1(3,4)5/h8-15H,5-7,16-17H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1