but-3-en-1-ynyl 2-[4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]propanoate

Systemtic Name: but-3-en-1-ynyl 2-[4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]propanoate Openeye Name: but-3-en-1-ynyl 2-[4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]propanoate CAS Name: 2-[4-(2,6,6-trimethyl-1-cyclohexenyl)phenyl]propanoic acid but-3-en-1-ynyl ester IUPAC Name: but-3-en-1-ynyl 2-[4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]propanoate Traditional Name: 2-[4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]propionic acid but-3-en-1-ynyl ester Formula: C22H26O2 MolecularWeight: 322.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C2=CC=C(C=C2)C(C)C(=O)OC#CC=C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C2=CC=C(C=C2)C(C)C(=O)OC#CC=C

InChI

InChI=1S/C22H26O2/c1-6-7-15-24-21(23)17(3)18-10-12-19(13-11-18)20-16(2)9-8-14-22(20,4)5/h6,10-13,17H,1,8-9,14H2,2-5H3