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

Systemtic Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxidanylidene-pentanoyl)oxypropane-1-sulfonate Openeye Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxo-pentanoyl)oxypropane-1-sulfonate CAS Name: 3-(2-ethyl-5-methoxy-4-methyl-1,5-dioxopentoxy)-1-propanesulfonate IUPAC Name: 3-(2-ethyl-5-methoxy-4-methyl-5-oxopentanoyl)oxypropane-1-sulfonate Traditional Name: 3-(2-ethyl-5-keto-5-methoxy-4-methyl-pentanoyl)oxypropane-1-sulfonate Formula: C12H21O7S- MolecularWeight: 309.35594

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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)/p-1