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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloranyl-4-octyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloro-4-octyl-benzoate CAS Name: 3-chloro-4-octylbenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 3-chloro-4-octylbenzoate Traditional Name: 3-chloro-4-octyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C32H36Cl2O4 MolecularWeight: 555.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)Cl

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)Cl

InChI

InChI=1S/C32H36Cl2O4/c1-4-5-6-7-8-9-10-25-11-12-26(21-29(25)33)31(35)37-27-17-13-23(14-18-27)24-15-19-28(20-16-24)38-32(36)30(34)22(2)3/h11-22,30H,4-10H2,1-3H3