ethyl 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoate

Systemtic Name: ethyl 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoate Openeye Name: ethyl 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoate CAS Name: 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoate Traditional Name: 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoic acid ethyl ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2/c1-5-20-18(19)15(4)17(13-14(2)3)12-11-16-9-7-6-8-10-16/h6-10,15H,5H2,1-4H3