dimethyl 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioate Openeye Name: dimethyl 2-[1-[(E)-styryl]but-2-ynyl]propanedioate CAS Name: 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioate Traditional Name: 2-[1-[(E)-styryl]but-2-ynyl]malonic acid dimethyl ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC#CC(/C=C/C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18O4/c1-4-8-14(12-11-13-9-6-5-7-10-13)15(16(18)20-2)17(19)21-3/h5-7,9-12,14-15H,1-3H3/b12-11+