1,4-dimethylcyclohexane; methanesulfonic acid

Systemtic Name: 1,4-dimethylcyclohexane; methanesulfonic acid Openeye Name: 1,4-dimethylcyclohexane; methanesulfonic acid CAS Name: 1,4-dimethylcyclohexane; methanesulfonic acid IUPAC Name: 1,4-dimethylcyclohexane; methanesulfonic acid Traditional Name: 1,4-dimethylcyclohexane; mesylic acid Formula: C9H20O3S MolecularWeight: 208.3183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C.CS(=O)(=O)O

Isomeric SMILES

CC1CCC(CC1)C.CS(=O)(=O)O

InChI

InChI=1S/C8H16.CH4O3S/c1-7-3-5-8(2)6-4-7;1-5(2,3)4/h7-8H,3-6H2,1-2H3;1H3,(H,2,3,4)