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

Systemtic Name: perchloric acid; propyl N-(2-methyl-1-thianthren-5-ium-5-yl-propan-2-yl)ethanimidate; perchlorate Openeye Name: perchloric acid; propyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)ethanimidate; perchlorate CAS Name: N-[2-methyl-1-(5-thianthren-5-iumyl)propan-2-yl]ethanimidic acid propyl ester; perchloric acid; perchlorate IUPAC Name: perchloric acid; propyl N-(2-methyl-1-thianthren-5-ium-5-ylpropan-2-yl)ethanimidate; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-ethyl)acetimidic acid propyl ester; perchloric acid; perchlorate Formula: C21H27Cl2NO9S2 MolecularWeight: 572.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26NOS2.2ClHO4/c1-5-14-23-16(2)22-21(3,4)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