(phenylmethyl) 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoyloxy]benzoate

Systemtic Name: (phenylmethyl) 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoyloxy]benzoate Openeye Name: benzyl 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoyloxy]benzoate CAS Name: 4-[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoyloxy]benzoate Traditional Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoyloxy]benzoic acid benzyl ester Formula: C26H25ClO5 MolecularWeight: 452.9267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25ClO5/c1-18-15-23(16-19(2)25(18)27)30-14-6-9-24(28)32-22-12-10-21(11-13-22)26(29)31-17-20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3