methane; 2-methylbenzenesulfonate

Systemtic Name: methane; 2-methylbenzenesulfonate Openeye Name: methane; 2-methylbenzenesulfonate CAS Name: methane; 2-methylbenzenesulfonate IUPAC Name: methane; 2-methylbenzenesulfonate Traditional Name: methane; 2-methylbesylate Formula: C8H11O3S- MolecularWeight: 187.23614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

C.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.CH4/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H4/p-1