4-methylcyclohexane-1-sulfonate; triphenylsulfanium

Systemtic Name: 4-methylcyclohexane-1-sulfonate; triphenylsulfanium Openeye Name: 4-methylcyclohexanesulfonate; triphenylsulfonium CAS Name: 4-methyl-1-cyclohexanesulfonate; triphenylsulfonium IUPAC Name: 4-methylcyclohexane-1-sulfonate; triphenylsulfanium Traditional Name: 4-methylcyclohexanesulfonate; triphenylsulfonium Formula: C25H28O3S2 MolecularWeight: 440.61802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15S.C7H14O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-15H;6-7H,2-5H2,1H3,(H,8,9,10)/q+1;/p-1