(4-cyclohexa-1,5-dien-1-ylphenyl) octanoate

Systemtic Name: (4-cyclohexa-1,5-dien-1-ylphenyl) octanoate Openeye Name: (4-cyclohexa-1,5-dien-1-ylphenyl) octanoate CAS Name: octanoic acid [4-(1-cyclohexa-1,5-dienyl)phenyl] ester IUPAC Name: (4-cyclohexa-1,5-dien-1-ylphenyl) octanoate Traditional Name: caprylic acid (4-cyclohexa-1,5-dien-1-ylphenyl) ester Formula: C20H26O2 MolecularWeight: 298.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CCCC=C2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CCCC=C2

InChI

InChI=1S/C20H26O2/c1-2-3-4-5-9-12-20(21)22-19-15-13-18(14-16-19)17-10-7-6-8-11-17/h7,10-11,13-16H,2-6,8-9,12H2,1H3