4-(2,6,6-trimethyl-1-oxidanyl-cyclohex-2-en-1-yl)but-3-yn-2-yl propanoate

Systemtic Name: 4-(2,6,6-trimethyl-1-oxidanyl-cyclohex-2-en-1-yl)but-3-yn-2-yl propanoate Openeye Name: [3-(1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-1-methyl-prop-2-ynyl] propanoate CAS Name: propanoic acid 4-(1-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-yn-2-yl ester IUPAC Name: 4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-yn-2-yl propanoate Traditional Name: propionic acid [3-(1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-1-methyl-prop-2-ynyl] ester Formula: C16H24O3 MolecularWeight: 264.35996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)C#CC1(C(=CCCC1(C)C)C)O

Isomeric SMILES

CCC(=O)OC(C)C#CC1(C(=CCCC1(C)C)C)O

InChI

InChI=1S/C16H24O3/c1-6-14(17)19-13(3)9-11-16(18)12(2)8-7-10-15(16,4)5/h8,13,18H,6-7,10H2,1-5H3