1-(4-methylphenyl)-2-thianthren-5-ium-5-yl-ethanone perchlorate

Systemtic Name: 1-(4-methylphenyl)-2-thianthren-5-ium-5-yl-ethanone perchlorate Openeye Name: 1-(p-tolyl)-2-thianthren-5-ium-5-yl-ethanone perchlorate CAS Name: 1-(4-methylphenyl)-2-(5-thianthren-5-iumyl)ethanone perchlorate IUPAC Name: 1-(4-methylphenyl)-2-thianthren-5-ium-5-ylethanone perchlorate Traditional Name: 1-(p-tolyl)-2-thianthren-5-ium-5-yl-ethanone perchlorate Formula: C21H17ClO5S2 MolecularWeight: 448.93968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H17OS2.ClHO4/c1-15-10-12-16(13-11-15)17(22)14-24-20-8-4-2-6-18(20)23-19-7-3-5-9-21(19)24;2-1(3,4)5/h2-13H,14H2,1H3;(H,2,3,4,5)/q+1;/p-1