ethyl 4-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(2-methyl-6-oxo-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-methyl-6-oxo-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(2-methyl-6-oxocyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-keto-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C20H20O3 MolecularWeight: 308.371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C2=C(CCCC2=O)C

InChI

InChI=1S/C20H20O3/c1-3-23-20(22)17-13-11-16(12-14-17)8-4-5-9-18-15(2)7-6-10-19(18)21/h5,9,11-14H,3,6-7,10H2,1-2H3/b9-5+