ditert-butyl 2-(4-chlorophenyl)carbonylhexanedioate

Systemtic Name: ditert-butyl 2-(4-chlorophenyl)carbonylhexanedioate Openeye Name: ditert-butyl 2-(4-chlorobenzoyl)hexanedioate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]hexanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-chlorobenzoyl)hexanedioate Traditional Name: 2-(4-chlorobenzoyl)adipic acid ditert-butyl ester Formula: C21H29ClO5 MolecularWeight: 396.90496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC(C(=O)C1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCC(C(=O)C1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29ClO5/c1-20(2,3)26-17(23)9-7-8-16(19(25)27-21(4,5)6)18(24)14-10-12-15(22)13-11-14/h10-13,16H,7-9H2,1-6H3