(3,5,5-trimethyl-4-oxidanylidene-hexan-2-yl) but-3-ene-2-sulfinate

Systemtic Name: (3,5,5-trimethyl-4-oxidanylidene-hexan-2-yl) but-3-ene-2-sulfinate Openeye Name: (1,2,4,4-tetramethyl-3-oxo-pentyl) but-3-ene-2-sulfinate CAS Name: 3-butene-2-sulfinic acid (3,5,5-trimethyl-4-oxohexan-2-yl) ester IUPAC Name: (3,5,5-trimethyl-4-oxohexan-2-yl) but-3-ene-2-sulfinate Traditional Name: but-3-ene-2-sulfinic acid (3-keto-1,2,4,4-tetramethyl-pentyl) ester Formula: C13H24O3S MolecularWeight: 260.39286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)S(=O)OC(C)C(C)C(=O)C(C)(C)C

Isomeric SMILES

CC(C=C)S(=O)OC(C)C(C)C(=O)C(C)(C)C

InChI

InChI=1S/C13H24O3S/c1-8-9(2)17(15)16-11(4)10(3)12(14)13(5,6)7/h8-11H,1H2,2-7H3