phenyl 4-(2-fluoranylhexoxy)-2-heptoxy-benzoate

Systemtic Name: phenyl 4-(2-fluoranylhexoxy)-2-heptoxy-benzoate Openeye Name: phenyl 4-(2-fluorohexoxy)-2-heptoxy-benzoate CAS Name: 4-(2-fluorohexoxy)-2-heptoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-(2-fluorohexoxy)-2-heptoxybenzoate Traditional Name: 4-(2-fluorohexoxy)-2-heptoxy-benzoic acid phenyl ester Formula: C26H35FO4 MolecularWeight: 430.552103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CC(=C1)OCC(CCCC)F)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=C(C=CC(=C1)OCC(CCCC)F)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C26H35FO4/c1-3-5-7-8-12-18-29-25-19-23(30-20-21(27)13-6-4-2)16-17-24(25)26(28)31-22-14-10-9-11-15-22/h9-11,14-17,19,21H,3-8,12-13,18,20H2,1-2H3