dimethyl 2-[(E,1S,2R)-2,6,6-trimethyl-3-oxidanylidene-1-phenyl-hept-4-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E,1S,2R)-2,6,6-trimethyl-3-oxidanylidene-1-phenyl-hept-4-enyl]propanedioate Openeye Name: dimethyl 2-[(E,1S,2R)-2,6,6-trimethyl-3-oxo-1-phenyl-hept-4-enyl]propanedioate CAS Name: 2-[(E,1S,2R)-2,6,6-trimethyl-3-oxo-1-phenylhept-4-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E,1S,2R)-2,6,6-trimethyl-3-oxo-1-phenylhept-4-enyl]propanedioate Traditional Name: 2-[(E,1S,2R)-3-keto-2,6,6-trimethyl-1-phenyl-hept-4-enyl]malonic acid dimethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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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)C=CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5/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/h7-14,17-18H,1-6H3/b13-12+/t14-,17+/m0/s1