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

Systemtic Name: methyl N-(2-methyl-1-thianthren-5-ium-5-yl-pentan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: methyl N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)butyl]ethanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)pentan-2-yl]ethanimidic acid methyl ester; perchloric acid; perchlorate IUPAC Name: methyl N-(2-methyl-1-thianthren-5-ium-5-ylpentan-2-yl)ethanimidate; perchloric acid; perchlorate Traditional Name: N-[1-methyl-1-(thianthren-5-ium-5-ylmethyl)butyl]acetimidic acid methyl ester; perchloric acid; perchlorate Formula: C21H27Cl2NO9S2 MolecularWeight: 572.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OC.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC(C)(C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)N=C(C)OC.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H26NOS2.2ClHO4/c1-5-14-21(3,22-16(2)23-4)15-25-19-12-8-6-10-17(19)24-18-11-7-9-13-20(18)25;2*2-1(3,4)5/h6-13H,5,14-15H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1