1-(1-oxidanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl octanoate

Systemtic Name: 1-(1-oxidanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl octanoate Openeye Name: 1-(1-hydroxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl octanoate CAS Name: octanoic acid 1-(1-hydroxy-4-phenyl-1-cyclohexa-2,5-dienyl)ethyl ester IUPAC Name: 1-(1-hydroxy-4-phenylcyclohexa-2,5-dien-1-yl)ethyl octanoate Traditional Name: caprylic acid 1-(1-hydroxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C1(C=CC(C=C1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCC(=O)OC(C)C1(C=CC(C=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C22H30O3/c1-3-4-5-6-10-13-21(23)25-18(2)22(24)16-14-20(15-17-22)19-11-8-7-9-12-19/h7-9,11-12,14-18,20,24H,3-6,10,13H2,1-2H3