3-(2-ethyl-5-methoxy-4-methyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonic acid Openeye Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxo-pentanoyl)oxypropane-1-sulfonic acid CAS Name: 3-(2-ethyl-5-methoxy-4-methyl-1,5-dioxopentoxy)-1-propanesulfonic acid IUPAC Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxopentanoyl)oxypropane-1-sulfonic acid Traditional Name: 3-(2-ethyl-5-keto-5-methoxy-4-methyl-pentanoyl)oxypropane-1-sulfonic acid Formula: C12H22O7S MolecularWeight: 310.36388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC)C(=O)OCCCS(=O)(=O)O

Isomeric SMILES

CCC(CC(C)C(=O)OC)C(=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-4-10(8-9(2)11(13)18-3)12(14)19-6-5-7-20(15,16)17/h9-10H,4-8H2,1-3H3,(H,15,16,17)