(2,6-dimethyl-4-methylsulfanyl-phenyl)-(3,5-dimethylphenyl)-methyl-sulfanium perchlorate

Systemtic Name: (2,6-dimethyl-4-methylsulfanyl-phenyl)-(3,5-dimethylphenyl)-methyl-sulfanium perchlorate Openeye Name: (2,6-dimethyl-4-methylsulfanyl-phenyl)-(3,5-dimethylphenyl)-methyl-sulfonium perchlorate CAS Name: [2,6-dimethyl-4-(methylthio)phenyl]-(3,5-dimethylphenyl)-methylsulfonium perchlorate IUPAC Name: (2,6-dimethyl-4-methylsulfanylphenyl)-(3,5-dimethylphenyl)-methylsulfanium perchlorate Traditional Name: [2,6-dimethyl-4-(methylthio)phenyl]-(3,5-dimethylphenyl)-methyl-sulfonium perchlorate Formula: C18H23ClO4S2 MolecularWeight: 402.95582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[S+](C)C2=C(C=C(C=C2C)SC)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=C1)[S+](C)C2=C(C=C(C=C2C)SC)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H23S2.ClHO4/c1-12-7-13(2)9-17(8-12)20(6)18-14(3)10-16(19-5)11-15(18)4;2-1(3,4)5/h7-11H,1-6H3;(H,2,3,4,5)/q+1;/p-1