(4-decoxyphenyl) 4-[3,4-bis(fluoranyl)-5-methyl-hexan-2-yl]oxybenzoate

Systemtic Name: (4-decoxyphenyl) 4-[3,4-bis(fluoranyl)-5-methyl-hexan-2-yl]oxybenzoate Openeye Name: (4-decoxyphenyl) 4-(2,3-difluoro-1,4-dimethyl-pentoxy)benzoate CAS Name: 4-(3,4-difluoro-5-methylhexan-2-yl)oxybenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-(3,4-difluoro-5-methylhexan-2-yl)oxybenzoate Traditional Name: 4-(2,3-difluoro-1,4-dimethyl-pentoxy)benzoic acid (4-decoxyphenyl) ester Formula: C30H42F2O4 MolecularWeight: 504.648886

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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(C(C(C)C)F)F

Isomeric SMILES

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

InChI

InChI=1S/C30H42F2O4/c1-5-6-7-8-9-10-11-12-21-34-25-17-19-27(20-18-25)36-30(33)24-13-15-26(16-14-24)35-23(4)29(32)28(31)22(2)3/h13-20,22-23,28-29H,5-12,21H2,1-4H3