(1,1-dideuterio-3-ethoxy-3-methyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (1,1-dideuterio-3-ethoxy-3-methyl-butyl) 4-methylbenzenesulfonate Openeye Name: (1,1-dideuterio-3-ethoxy-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1-dideuterio-3-ethoxy-3-methylbutyl) ester IUPAC Name: (1,1-dideuterio-3-ethoxy-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1-dideuterio-3-ethoxy-3-methyl-butyl) ester Formula: C14H22O4S MolecularWeight: 288.399404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

[2H]C([2H])(CC(C)(C)OCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H22O4S/c1-5-17-14(3,4)10-11-18-19(15,16)13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3/i11D2