ethyl 4-[(Z)-5-fluoranyl-1-oxidanylidene-1-phenylmethoxy-dodec-5-en-6-yl]benzoate

Systemtic Name: ethyl 4-[(Z)-5-fluoranyl-1-oxidanylidene-1-phenylmethoxy-dodec-5-en-6-yl]benzoate Openeye Name: ethyl 4-[(1Z)-1-(5-benzyloxy-1-fluoro-5-oxo-pentylidene)heptyl]benzoate CAS Name: 4-[(Z)-5-fluoro-1-oxo-1-phenylmethoxydodec-5-en-6-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-5-fluoro-1-oxo-1-phenylmethoxydodec-5-en-6-yl]benzoate Traditional Name: 4-[(Z)-6-benzoxy-2-fluoro-1-hexyl-6-keto-hex-1-enyl]benzoic acid ethyl ester Formula: C28H35FO4 MolecularWeight: 454.573503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C(CCCC(=O)OCC1=CC=CC=C1)F)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCC/C(=C(\CCCC(=O)OCC1=CC=CC=C1)/F)/C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C28H35FO4/c1-3-5-6-10-14-25(23-17-19-24(20-18-23)28(31)32-4-2)26(29)15-11-16-27(30)33-21-22-12-8-7-9-13-22/h7-9,12-13,17-20H,3-6,10-11,14-16,21H2,1-2H3/b26-25-