(4-decoxyphenyl) 3-fluoranyl-4-(5-methyl-3-oxidanyl-hexan-2-yl)oxy-benzoate

Systemtic Name: (4-decoxyphenyl) 3-fluoranyl-4-(5-methyl-3-oxidanyl-hexan-2-yl)oxy-benzoate Openeye Name: (4-decoxyphenyl) 3-fluoro-4-(2-hydroxy-1,4-dimethyl-pentoxy)benzoate CAS Name: 3-fluoro-4-(3-hydroxy-5-methylhexan-2-yl)oxybenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 3-fluoro-4-(3-hydroxy-5-methylhexan-2-yl)oxybenzoate Traditional Name: 3-fluoro-4-(2-hydroxy-1,4-dimethyl-pentoxy)benzoic acid (4-decoxyphenyl) ester Formula: C30H43FO5 MolecularWeight: 502.657823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)C(CC(C)C)O)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)C(CC(C)C)O)F

InChI

InChI=1S/C30H43FO5/c1-5-6-7-8-9-10-11-12-19-34-25-14-16-26(17-15-25)36-30(33)24-13-18-29(27(31)21-24)35-23(4)28(32)20-22(2)3/h13-18,21-23,28,32H,5-12,19-20H2,1-4H3