4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl propanoate

Systemtic Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl propanoate Openeye Name: [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] propanoate CAS Name: propanoic acid 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-3-yn-2-yl ester IUPAC Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl propanoate Traditional Name: propionic acid [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] ester Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)C#CC1=C(C=CCC1(C)C)C

Isomeric SMILES

CCC(=O)OC(C)C#CC1=C(C=CCC1(C)C)C

InChI

InChI=1S/C16H22O2/c1-6-15(17)18-13(3)9-10-14-12(2)8-7-11-16(14,4)5/h7-8,13H,6,11H2,1-5H3