1-phenyl-2-thianthren-5-ium-5-yl-ethanone perchlorate

Systemtic Name: 1-phenyl-2-thianthren-5-ium-5-yl-ethanone perchlorate Openeye Name: 1-phenyl-2-thianthren-5-ium-5-yl-ethanone perchlorate CAS Name: 1-phenyl-2-(5-thianthren-5-iumyl)ethanone perchlorate IUPAC Name: 1-phenyl-2-thianthren-5-ium-5-ylethanone perchlorate Traditional Name: 1-phenyl-2-thianthren-5-ium-5-yl-ethanone perchlorate Formula: C20H15ClO5S2 MolecularWeight: 434.9131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15OS2.ClHO4/c21-16(15-8-2-1-3-9-15)14-23-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)23;2-1(3,4)5/h1-13H,14H2;(H,2,3,4,5)/q+1;/p-1