[4-chloranyl-3-(3,5-ditert-butylphenyl)carbonyloxy-phenyl] 3,5-ditert-butylbenzoate

Systemtic Name: [4-chloranyl-3-(3,5-ditert-butylphenyl)carbonyloxy-phenyl] 3,5-ditert-butylbenzoate Openeye Name: [4-chloro-3-(3,5-ditert-butylbenzoyl)oxy-phenyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [4-chloro-3-[(3,5-ditert-butylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-chloro-3-(3,5-ditert-butylbenzoyl)oxyphenyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [4-chloro-3-(3,5-ditert-butylbenzoyl)oxy-phenyl] ester Formula: C36H45ClO4 MolecularWeight: 577.1931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC(=C(C=C2)Cl)OC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC(=C(C=C2)Cl)OC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C36H45ClO4/c1-33(2,3)24-15-22(16-25(19-24)34(4,5)6)31(38)40-28-13-14-29(37)30(21-28)41-32(39)23-17-26(35(7,8)9)20-27(18-23)36(10,11)12/h13-21H,1-12H3