1-(12-methyltridecanoyloxy)propane-1-sulfonic acid

Systemtic Name: 1-(12-methyltridecanoyloxy)propane-1-sulfonic acid Openeye Name: 1-(12-methyltridecanoyloxy)propane-1-sulfonic acid CAS Name: 1-(12-methyl-1-oxotridecoxy)-1-propanesulfonic acid IUPAC Name: 1-(12-methyltridecanoyloxy)propane-1-sulfonic acid Traditional Name: 1-(12-methyltridecanoyloxy)propane-1-sulfonic acid Formula: C17H34O5S MolecularWeight: 350.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)CCCCCCCCCCC(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(OC(=O)CCCCCCCCCCC(C)C)S(=O)(=O)O

InChI

InChI=1S/C17H34O5S/c1-4-17(23(19,20)21)22-16(18)14-12-10-8-6-5-7-9-11-13-15(2)3/h15,17H,4-14H2,1-3H3,(H,19,20,21)