tert-butyl (E,5S,6R)-3,5-dideuterio-5,7-dimethyl-6-(phenylmethoxymethoxy)oct-2-enoate

Systemtic Name: tert-butyl (E,5S,6R)-3,5-dideuterio-5,7-dimethyl-6-(phenylmethoxymethoxy)oct-2-enoate Openeye Name: tert-butyl (E,5S,6R)-6-(benzyloxymethoxy)-3,5-dideuterio-5,7-dimethyl-oct-2-enoate CAS Name: (E,5S,6R)-3,5-dideuterio-5,7-dimethyl-6-(phenylmethoxymethoxy)-2-octenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,5S,6R)-3,5-dideuterio-5,7-dimethyl-6-(phenylmethoxymethoxy)oct-2-enoate Traditional Name: (E,5S,6R)-6-(benzoxymethoxy)-3,5-dideuterio-5,7-dimethyl-oct-2-enoic acid tert-butyl ester Formula: C22H34O4 MolecularWeight: 364.515284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CC=CC(=O)OC(C)(C)C)OCOCC1=CC=CC=C1

Isomeric SMILES

[2H]/C(=C\C(=O)OC(C)(C)C)/C[C@]([2H])(C)[C@@H](C(C)C)OCOCC1=CC=CC=C1

InChI

InChI=1S/C22H34O4/c1-17(2)21(25-16-24-15-19-12-8-7-9-13-19)18(3)11-10-14-20(23)26-22(4,5)6/h7-10,12-14,17-18,21H,11,15-16H2,1-6H3/b14-10+/t18-,21+/m0/s1/i10D,18D