2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium perchlorate

Systemtic Name: 2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium perchlorate Openeye Name: 1-phenyl-2-(p-tolyl)benzothiophen-1-ium perchlorate CAS Name: 2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium perchlorate IUPAC Name: 2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium perchlorate Traditional Name: 1-phenyl-2-(p-tolyl)benzothiophen-1-ium perchlorate Formula: C21H17ClO4S MolecularWeight: 400.87528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[S+]2C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[S+]2C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H17S.ClHO4/c1-16-11-13-17(14-12-16)21-15-18-7-5-6-10-20(18)22(21)19-8-3-2-4-9-19;2-1(3,4)5/h2-15H,1H3;(H,2,3,4,5)/q+1;/p-1