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

Systemtic Name: [4-(2-methylbutanoyl)phenyl] 2-chloranyl-4-(4-octoxyphenyl)benzoate Openeye Name: [4-(2-methylbutanoyl)phenyl] 2-chloro-4-(4-octoxyphenyl)benzoate CAS Name: 2-chloro-4-(4-octoxyphenyl)benzoic acid [4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [4-(2-methylbutanoyl)phenyl] 2-chloro-4-(4-octoxyphenyl)benzoate Traditional Name: 2-chloro-4-(4-octoxyphenyl)benzoic acid [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=CC=C(C=C3)C(=O)C(C)CC)Cl

Isomeric SMILES

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

InChI

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