2-(16-methylheptadecoxy)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-(16-methylheptadecoxy)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(16-methylheptadecoxy)-2-oxo-ethanesulfonic acid CAS Name: 2-(16-methylheptadecoxy)-2-oxoethanesulfonic acid IUPAC Name: 2-(16-methylheptadecoxy)-2-oxoethanesulfonic acid Traditional Name: 2-keto-2-(16-methylheptadecoxy)ethanesulfonic acid Formula: C20H40O5S MolecularWeight: 392.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)O

InChI

InChI=1S/C20H40O5S/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-20(21)18-26(22,23)24/h19H,3-18H2,1-2H3,(H,22,23,24)