dimethyl 2-[(1E,3S)-1-phenylpenta-1,4-dien-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(1E,3S)-1-phenylpenta-1,4-dien-3-yl]propanedioate Openeye Name: dimethyl 2-[(E,1S)-3-phenyl-1-vinyl-allyl]propanedioate CAS Name: 2-[(1E,3S)-1-phenylpenta-1,4-dien-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1E,3S)-1-phenylpenta-1,4-dien-3-yl]propanedioate Traditional Name: 2-[(E,1S)-3-phenyl-1-vinyl-allyl]malonic acid dimethyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C=C)C=CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+/t13-/m0/s1