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

Systemtic Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonate Openeye Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl)oxypropane-1-sulfonate CAS Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-1,5-dioxopentoxy)-1-propanesulfonate IUPAC Name: 3-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)oxypropane-1-sulfonate Traditional Name: 3-(5-butoxy-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl)oxypropane-1-sulfonate Formula: C17H31O7S- MolecularWeight: 379.48884

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)/p-1