2,3,4-tri(propan-2-yl)benzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 2,3,4-tri(propan-2-yl)benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 2,3,4-triisopropylbenzenesulfonate; tris-p-tolylsulfonium CAS Name: 2,3,4-tri(propan-2-yl)benzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 2,3,4-tri(propan-2-yl)benzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 2,3,4-triisopropylbesylate; tris-p-tolylsulfonium Formula: C36H44O3S2 MolecularWeight: 588.86276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.C15H24O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-9(2)12-7-8-13(19(16,17)18)15(11(5)6)14(12)10(3)4/h4-15H,1-3H3;7-11H,1-6H3,(H,16,17,18)/q+1;/p-1