4-(2,5-dimethylcyclohexyl)butane-1-sulfonate

Systemtic Name: 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Openeye Name: 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate CAS Name: 4-(2,5-dimethylcyclohexyl)-1-butanesulfonate IUPAC Name: 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Traditional Name: 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Formula: C12H23O3S- MolecularWeight: 247.37422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1CCC(C(C1)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C12H24O3S/c1-10-6-7-11(2)12(9-10)5-3-4-8-16(13,14)15/h10-12H,3-9H2,1-2H3,(H,13,14,15)/p-1