[6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 4-butoxybenzoate

Systemtic Name: [6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 4-butoxybenzoate Openeye Name: (6,6-difluoro-5-methyl-hex-5-enyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (6,6-difluoro-5-methylhex-5-enyl) ester IUPAC Name: (6,6-difluoro-5-methylhex-5-enyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (6,6-difluoro-5-methyl-hex-5-enyl) ester Formula: C18H24F2O3 MolecularWeight: 326.378166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCCCCC(=C(F)F)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCCCC(=C(F)F)C

InChI

InChI=1S/C18H24F2O3/c1-3-4-12-22-16-10-8-15(9-11-16)18(21)23-13-6-5-7-14(2)17(19)20/h8-11H,3-7,12-13H2,1-2H3