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

Systemtic Name: ethyl N-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)ethanimidate; perchloric acid; perchlorate Openeye Name: ethyl N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)ethanimidate; perchloric acid; perchlorate CAS Name: N-[2-methyl-3-(5-thianthren-5-iumyl)butan-2-yl]ethanimidic acid ethyl ester; perchloric acid; perchlorate IUPAC Name: ethyl N-(2-methyl-3-thianthren-5-ium-5-ylbutan-2-yl)ethanimidate; perchloric acid; perchlorate Traditional Name: N-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)acetimidic acid ethyl ester; perchloric acid; perchlorate Formula: C21H27Cl2NO9S2 MolecularWeight: 572.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C21H26NOS2.2ClHO4/c1-6-23-16(3)22-21(4,5)15(2)25-19-13-9-7-11-17(19)24-18-12-8-10-14-20(18)25;2*2-1(3,4)5/h7-15H,6H2,1-5H3;2*(H,2,3,4,5)/q+1;;/p-1