butyl 4-[4-(3-chloranyl-4-octoxy-phenyl)phenyl]carbonyloxy-2-fluoranyl-3-methyl-benzoate

Systemtic Name: butyl 4-[4-(3-chloranyl-4-octoxy-phenyl)phenyl]carbonyloxy-2-fluoranyl-3-methyl-benzoate Openeye Name: butyl 4-[4-(3-chloro-4-octoxy-phenyl)benzoyl]oxy-2-fluoro-3-methyl-benzoate CAS Name: 4-[[4-(3-chloro-4-octoxyphenyl)phenyl]-oxomethoxy]-2-fluoro-3-methylbenzoic acid butyl ester IUPAC Name: butyl 4-[4-(3-chloro-4-octoxyphenyl)benzoyl]oxy-2-fluoro-3-methylbenzoate Traditional Name: 4-[4-(3-chloro-4-octoxy-phenyl)benzoyl]oxy-2-fluoro-3-methyl-benzoic acid butyl ester Formula: C33H38ClFO5 MolecularWeight: 569.103223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C(=O)OCCCC)F)C)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C(=O)OCCCC)F)C)Cl

InChI

InChI=1S/C33H38ClFO5/c1-4-6-8-9-10-11-21-38-30-18-16-26(22-28(30)34)24-12-14-25(15-13-24)32(36)40-29-19-17-27(31(35)23(29)3)33(37)39-20-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3