[(E)-1,1-dideuterio-2-methyl-5-phenyl-pent-2-enyl] methanesulfonate

Systemtic Name: [(E)-1,1-dideuterio-2-methyl-5-phenyl-pent-2-enyl] methanesulfonate Openeye Name: [(E)-1,1-dideuterio-2-methyl-5-phenyl-pent-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-1,1-dideuterio-2-methyl-5-phenylpent-2-enyl] ester IUPAC Name: [(E)-1,1-dideuterio-2-methyl-5-phenylpent-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-1,1-dideuterio-2-methyl-5-phenyl-pent-2-enyl] ester Formula: C13H18O3S MolecularWeight: 256.357544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1=CC=CC=C1)COS(=O)(=O)C

Isomeric SMILES

[2H]C([2H])(/C(=C/CCC1=CC=CC=C1)/C)OS(=O)(=O)C

InChI

InChI=1S/C13H18O3S/c1-12(11-16-17(2,14)15)7-6-10-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3/b12-7+/i11D2