pentyl 5-fluoranyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate

Systemtic Name: pentyl 5-fluoranyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate Openeye Name: pentyl 5-fluoro-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]naphthalene-2-carboxylate CAS Name: 5-fluoro-6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl]-2-naphthalenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-fluoro-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate Traditional Name: 5-fluoro-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]naphthalene-2-carboxylic acid amyl ester Formula: C27H33FO2 MolecularWeight: 408.548123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)C(=C(C=C2)C=CC3=C(CCCC3(C)C)C)F

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)C(=C(C=C2)/C=C/C3=C(CCCC3(C)C)C)F

InChI

InChI=1S/C27H33FO2/c1-5-6-7-17-30-26(29)22-12-14-23-21(18-22)11-10-20(25(23)28)13-15-24-19(2)9-8-16-27(24,3)4/h10-15,18H,5-9,16-17H2,1-4H3/b15-13+