pentan-2-yl 3-cyclohexa-1,5-dien-1-ylpropanoate

Systemtic Name: pentan-2-yl 3-cyclohexa-1,5-dien-1-ylpropanoate Openeye Name: 1-methylbutyl 3-cyclohexa-1,5-dien-1-ylpropanoate CAS Name: 3-(1-cyclohexa-1,5-dienyl)propanoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-cyclohexa-1,5-dien-1-ylpropanoate Traditional Name: 3-cyclohexa-1,5-dien-1-ylpropionic acid 1-methylbutyl ester Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)CCC1=CCCC=C1

Isomeric SMILES

CCCC(C)OC(=O)CCC1=CCCC=C1

InChI

InChI=1S/C14H22O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3