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

Systemtic Name: 3-(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonic acid Openeye Name: 3-(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl)oxypropane-1-sulfonic acid CAS Name: 3-(5-ethoxy-2-ethyl-2,4,4-trimethyl-1,5-dioxopentoxy)-1-propanesulfonic acid IUPAC Name: 3-(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)oxypropane-1-sulfonic acid Traditional Name: 3-(5-ethoxy-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl)oxypropane-1-sulfonic acid Formula: C15H28O7S MolecularWeight: 352.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28O7S/c1-6-15(5,11-14(3,4)12(16)21-7-2)13(17)22-9-8-10-23(18,19)20/h6-11H2,1-5H3,(H,18,19,20)