[4-(2-chloranyl-3-methyl-butanoyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(2-chloranyl-3-methyl-butanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(2-chloro-3-methyl-butanoyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-chloro-3-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [4-(2-chloro-3-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-chloro-3-methyl-butanoyl)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(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H37ClO4/c1-4-5-6-7-8-9-22-36-28-18-14-25(15-19-28)24-10-12-27(13-11-24)32(35)37-29-20-16-26(17-21-29)31(34)30(33)23(2)3/h10-21,23,30H,4-9,22H2,1-3H3