4-methylbenzenesulfonate; methyl-(3-methyl-1-benzothiophen-2-yl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1-benzothiophen-2-yl)sulfanium Openeye Name: 4-methylbenzenesulfonate; methyl-(3-methylbenzothiophen-2-yl)sulfonium CAS Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1-benzothiophen-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1-benzothiophen-2-yl)sulfanium Traditional Name: methyl-(3-methylbenzothiophen-2-yl)sulfonium tosylate Formula: C17H18O3S3 MolecularWeight: 366.51802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC2=CC=CC=C12)[SH+]C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC2=CC=CC=C12)[SH+]C

InChI

InChI=1S/C10H10S2.C7H8O3S/c1-7-8-5-3-4-6-9(8)12-10(7)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)