1-(3,4-dichlorophenyl)-2-hexadecyl-5-(phenylcarbonyl)docosane-1,3,6-trione

Systemtic Name: 1-(3,4-dichlorophenyl)-2-hexadecyl-5-(phenylcarbonyl)docosane-1,3,6-trione Openeye Name: 5-benzoyl-1-(3,4-dichlorophenyl)-2-hexadecyl-docosane-1,3,6-trione CAS Name: 5-benzoyl-1-(3,4-dichlorophenyl)-2-hexadecyldocosane-1,3,6-trione IUPAC Name: 5-benzoyl-1-(3,4-dichlorophenyl)-2-hexadecyldocosane-1,3,6-trione Traditional Name: 5-benzoyl-2-cetyl-1-(3,4-dichlorophenyl)docosane-1,3,6-trione Formula: C51H78Cl2O4 MolecularWeight: 826.06862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CC(C(=O)CCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CC(C(=O)CCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C51H78Cl2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-44(51(57)43-38-39-46(52)47(53)40-43)49(55)41-45(50(56)42-34-30-29-31-35-42)48(54)37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,38-40,44-45H,3-28,32-33,36-37,41H2,1-2H3