4-(2,4-dimethylphenoxy)butane-1-sulfonate

Systemtic Name: 4-(2,4-dimethylphenoxy)butane-1-sulfonate Openeye Name: 4-(2,4-dimethylphenoxy)butane-1-sulfonate CAS Name: 4-(2,4-dimethylphenoxy)-1-butanesulfonate IUPAC Name: 4-(2,4-dimethylphenoxy)butane-1-sulfonate Traditional Name: 4-(2,4-dimethylphenoxy)butane-1-sulfonate Formula: C12H17O4S- MolecularWeight: 257.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C12H18O4S/c1-10-5-6-12(11(2)9-10)16-7-3-4-8-17(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14,15)/p-1