[4-[4-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl]phenyl] 3-chloranyl-4-nonanoyloxy-benzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl]phenyl] 3-chloranyl-4-nonanoyloxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-pentoxy)carbonylphenyl]phenyl] 3-chloro-4-nonanoyloxy-benzoate CAS Name: 3-chloro-4-(1-oxononoxy)benzoic acid [4-[4-[(2-chloro-3-methylpentoxy)-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylpentoxy)carbonylphenyl]phenyl] 3-chloro-4-nonanoyloxybenzoate Traditional Name: 3-chloro-4-pelargonyloxy-benzoic acid [4-[4-(2-chloro-3-methyl-pentoxy)carbonylphenyl]phenyl] ester Formula: C35H40Cl2O6 MolecularWeight: 627.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C(C)CC)Cl)Cl

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C(C)CC)Cl)Cl

InChI

InChI=1S/C35H40Cl2O6/c1-4-6-7-8-9-10-11-33(38)43-32-21-18-28(22-30(32)36)35(40)42-29-19-16-26(17-20-29)25-12-14-27(15-13-25)34(39)41-23-31(37)24(3)5-2/h12-22,24,31H,4-11,23H2,1-3H3