dimethyl 2-[(1S,2R)-2,6,6-trimethyl-3-oxidanylidene-1-phenyl-heptyl]propanedioate

Systemtic Name: dimethyl 2-[(1S,2R)-2,6,6-trimethyl-3-oxidanylidene-1-phenyl-heptyl]propanedioate Openeye Name: dimethyl 2-[(1S,2R)-2,6,6-trimethyl-3-oxo-1-phenyl-heptyl]propanedioate CAS Name: 2-[(1S,2R)-2,6,6-trimethyl-3-oxo-1-phenylheptyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S,2R)-2,6,6-trimethyl-3-oxo-1-phenylheptyl]propanedioate Traditional Name: 2-[(1S,2R)-3-keto-2,6,6-trimethyl-1-phenyl-heptyl]malonic acid dimethyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)C(C(=O)OC)C(=O)OC)C(=O)CCC(C)(C)C

InChI

InChI=1S/C21H30O5/c1-14(16(22)12-13-21(2,3)4)17(15-10-8-7-9-11-15)18(19(23)25-5)20(24)26-6/h7-11,14,17-18H,12-13H2,1-6H3/t14-,17+/m0/s1