phenyl 2,2,3-trideuterioheptanoate

Systemtic Name: phenyl 2,2,3-trideuterioheptanoate Openeye Name: phenyl 2,2,3-trideuterioheptanoate CAS Name: 2,2,3-trideuterioheptanoic acid phenyl ester IUPAC Name: phenyl 2,2,3-trideuterioheptanoate Traditional Name: 2,2,3-trideuterioenanthic acid phenyl ester Formula: C13H18O2 MolecularWeight: 209.299305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC=C1

Isomeric SMILES

[2H]C(CCCC)C([2H])([2H])C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3/i8D,11D2