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

Systemtic Name: ethyl 4-[(E)-4-(6-acetyloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(6-acetoxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(6-acetyloxy-2-methyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(6-acetyloxy-2-methylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-acetoxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C2=C(CCCC2OC(=O)C)C

InChI

InChI=1S/C22H24O4/c1-4-25-22(24)19-14-12-18(13-15-19)9-5-6-10-20-16(2)8-7-11-21(20)26-17(3)23/h6,10,12-15,21H,4,7-8,11H2,1-3H3/b10-6+