3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonic acid Openeye Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl)oxypropane-1-sulfonic acid CAS Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-1,5-dioxopentoxy)-1-propanesulfonic acid IUPAC Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)oxypropane-1-sulfonic acid Traditional Name: 3-(5-butoxy-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl)oxypropane-1-sulfonic acid Formula: C17H32O7S MolecularWeight: 380.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(C)CC(C)(CC)C(=O)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C(C)(C)CC(C)(CC)C(=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C17H32O7S/c1-6-8-10-23-14(18)16(3,4)13-17(5,7-2)15(19)24-11-9-12-25(20,21)22/h6-13H2,1-5H3,(H,20,21,22)