(6-but-2-ynyl-6-methyl-5-oxidanyl-cyclohexen-1-yl) ethanoate

Systemtic Name: (6-but-2-ynyl-6-methyl-5-oxidanyl-cyclohexen-1-yl) ethanoate Openeye Name: (6-but-2-ynyl-5-hydroxy-6-methyl-cyclohexen-1-yl) acetate CAS Name: acetic acid (6-but-2-ynyl-5-hydroxy-6-methyl-1-cyclohexenyl) ester IUPAC Name: (6-but-2-ynyl-5-hydroxy-6-methylcyclohexen-1-yl) acetate Traditional Name: acetic acid (6-but-2-ynyl-5-hydroxy-6-methyl-cyclohexen-1-yl) ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(C(CCC=C1OC(=O)C)O)C

Isomeric SMILES

CC#CCC1(C(CCC=C1OC(=O)C)O)C

InChI

InChI=1S/C13H18O3/c1-4-5-9-13(3)11(15)7-6-8-12(13)16-10(2)14/h8,11,15H,6-7,9H2,1-3H3