(2-deuterio-3-methyl-but-3-enyl) 4-methylbenzenesulfonate

Systemtic Name: (2-deuterio-3-methyl-but-3-enyl) 4-methylbenzenesulfonate Openeye Name: (2-deuterio-3-methyl-but-3-enyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-deuterio-3-methylbut-3-enyl) ester IUPAC Name: (2-deuterio-3-methylbut-3-enyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-deuterio-3-methyl-but-3-enyl) ester Formula: C12H16O3S MolecularWeight: 241.324802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C)C

Isomeric SMILES

[2H]C(COS(=O)(=O)C1=CC=C(C=C1)C)C(=C)C

InChI

InChI=1S/C12H16O3S/c1-10(2)8-9-15-16(13,14)12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3/i8D