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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloranyl-4-pentoxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-chloro-4-pentoxy-benzoate CAS Name: 3-chloro-4-pentoxybenzoic 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-pentoxybenzoate Traditional Name: 4-amoxy-3-chloro-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C29H30Cl2O5 MolecularWeight: 529.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C29H30Cl2O5/c1-4-5-6-17-34-26-16-11-22(18-25(26)30)28(32)35-23-12-7-20(8-13-23)21-9-14-24(15-10-21)36-29(33)27(31)19(2)3/h7-16,18-19,27H,4-6,17H2,1-3H3