[4-(2-chloranyl-1-oxidanyl-ethyl)-2-(2,6-dimethylphenyl)carbonyloxy-phenyl] 2,6-dimethylbenzoate

Systemtic Name: [4-(2-chloranyl-1-oxidanyl-ethyl)-2-(2,6-dimethylphenyl)carbonyloxy-phenyl] 2,6-dimethylbenzoate Openeye Name: [4-(2-chloro-1-hydroxy-ethyl)-2-(2,6-dimethylbenzoyl)oxy-phenyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid [4-(2-chloro-1-hydroxyethyl)-2-[(2,6-dimethylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-(2-chloro-1-hydroxyethyl)-2-(2,6-dimethylbenzoyl)oxyphenyl] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [4-(2-chloro-1-hydroxy-ethyl)-2-(2,6-dimethylbenzoyl)oxy-phenyl] ester Formula: C26H25ClO5 MolecularWeight: 452.9267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=C(C=CC=C3C)C

InChI

InChI=1S/C26H25ClO5/c1-15-7-5-8-16(2)23(15)25(29)31-21-12-11-19(20(28)14-27)13-22(21)32-26(30)24-17(3)9-6-10-18(24)4/h5-13,20,28H,14H2,1-4H3