ethyl 4-[(E)-4-(2-acetyloxy-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-(2-acetyloxy-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(2-acetoxy-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-acetyloxy-6,6-dimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(2-acetyloxy-6,6-dimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(2-acetoxy-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4/c1-5-26-22(25)19-14-12-18(13-15-19)9-6-7-10-20-21(27-17(2)24)11-8-16-23(20,3)4/h7,10,12-15H,5,8,11,16H2,1-4H3/b10-7+