1-dodecyl-2,3-dimethyl-benzene; 3-ethoxypropane-1-sulfonic acid; hydrate

Systemtic Name: 1-dodecyl-2,3-dimethyl-benzene; 3-ethoxypropane-1-sulfonic acid; hydrate Openeye Name: 1-dodecyl-2,3-dimethyl-benzene; 3-ethoxypropane-1-sulfonic acid; hydrate CAS Name: 1-dodecyl-2,3-dimethylbenzene; 3-ethoxy-1-propanesulfonic acid; hydrate IUPAC Name: 1-dodecyl-2,3-dimethylbenzene; 3-ethoxypropane-1-sulfonic acid; hydrate Traditional Name: 3-ethoxypropane-1-sulfonic acid; 1-lauryl-2,3-dimethyl-benzene; hydrate Formula: C25H48O5S MolecularWeight: 460.71062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC(=C1C)C.CCOCCCS(=O)(=O)O.O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC(=C1C)C.CCOCCCS(=O)(=O)O.O

InChI

InChI=1S/C20H34.C5H12O4S.H2O/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18(2)19(20)3;1-2-9-4-3-5-10(6,7)8;/h14-15,17H,4-13,16H2,1-3H3;2-5H2,1H3,(H,6,7,8);1H2