perchloric acid; propyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate; perchlorate

Systemtic Name: perchloric acid; propyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate; perchlorate Openeye Name: perchloric acid; propyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)ethanimidate; perchlorate CAS Name: N-[2-methyl-3-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid propyl ester; perchloric acid; perchlorate IUPAC Name: perchloric acid; propyl N-(2-methyl-3-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)acetimidic acid propyl ester; perchloric acid; perchlorate Formula: C22H29Cl2NO9S2 MolecularWeight: 586.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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