benzoyl chloride; (3,5-ditert-butyl-4-oxidanyl-phenyl)-phenyl-methanone

Systemtic Name: benzoyl chloride; (3,5-ditert-butyl-4-oxidanyl-phenyl)-phenyl-methanone Openeye Name: benzoyl chloride; (3,5-ditert-butyl-4-hydroxy-phenyl)-phenyl-methanone CAS Name: benzoyl chloride; (3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethanone IUPAC Name: benzoyl chloride; (3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethanone Traditional Name: benzoyl chloride; (3,5-ditert-butyl-4-hydroxy-phenyl)-phenyl-methanone Formula: C28H31ClO3 MolecularWeight: 450.99694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C21H26O2.C7H5ClO/c1-20(2,3)16-12-15(13-17(19(16)23)21(4,5)6)18(22)14-10-8-7-9-11-14;8-7(9)6-4-2-1-3-5-6/h7-13,23H,1-6H3;1-5H