[2-chloranyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [2-chloranyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [2-chloro-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [2-chloro-4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [2-chloro-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [2-chloro-4-(2-methylbutanoyl)phenyl] ester Formula: C32H37ClO4 MolecularWeight: 521.08678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H37ClO4/c1-4-6-7-8-9-10-21-36-28-18-15-25(16-19-28)24-11-13-26(14-12-24)32(35)37-30-20-17-27(22-29(30)33)31(34)23(3)5-2/h11-20,22-23H,4-10,21H2,1-3H3