4-(4-chlorophenyl)-1-[4-(oxan-2-yloxy)-2-oxidanyl-phenyl]butane-1,3-dione

Systemtic Name: 4-(4-chlorophenyl)-1-[4-(oxan-2-yloxy)-2-oxidanyl-phenyl]butane-1,3-dione Openeye Name: 4-(4-chlorophenyl)-1-(2-hydroxy-4-tetrahydropyran-2-yloxy-phenyl)butane-1,3-dione CAS Name: 4-(4-chlorophenyl)-1-[2-hydroxy-4-(2-oxanyloxy)phenyl]butane-1,3-dione IUPAC Name: 4-(4-chlorophenyl)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]butane-1,3-dione Traditional Name: 4-(4-chlorophenyl)-1-(2-hydroxy-4-tetrahydropyran-2-yloxy-phenyl)butane-1,3-dione Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC(=C(C=C2)C(=O)CC(=O)CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCOC(C1)OC2=CC(=C(C=C2)C(=O)CC(=O)CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H21ClO5/c22-15-6-4-14(5-7-15)11-16(23)12-19(24)18-9-8-17(13-20(18)25)27-21-3-1-2-10-26-21/h4-9,13,21,25H,1-3,10-12H2