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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloranyl-4-nonoxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloro-4-nonoxy-benzoate CAS Name: 3-chloro-4-nonoxybenzoic 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-nonoxybenzoate Traditional Name: 3-chloro-4-nonoxy-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C33H38Cl2O5 MolecularWeight: 585.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=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

CCCCCCCCCOC1=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/C33H38Cl2O5/c1-4-5-6-7-8-9-10-21-38-30-20-15-26(22-29(30)34)32(36)39-27-16-11-24(12-17-27)25-13-18-28(19-14-25)40-33(37)31(35)23(2)3/h11-20,22-23,31H,4-10,21H2,1-3H3