1-(5-methyl-2-oxidanyl-phenyl)pentane-1,3-dione; 3-(phenylmethylidene)pentane-2,4-dione

Systemtic Name: 1-(5-methyl-2-oxidanyl-phenyl)pentane-1,3-dione; 3-(phenylmethylidene)pentane-2,4-dione Openeye Name: 3-benzylidenepentane-2,4-dione; 1-(2-hydroxy-5-methyl-phenyl)pentane-1,3-dione CAS Name: 1-(2-hydroxy-5-methylphenyl)pentane-1,3-dione; 3-(phenylmethylene)pentane-2,4-dione IUPAC Name: 3-benzylidenepentane-2,4-dione; 1-(2-hydroxy-5-methylphenyl)pentane-1,3-dione Traditional Name: 3-benzalpentane-2,4-dione; 1-(2-hydroxy-5-methyl-phenyl)pentane-1,3-dione Formula: C24H26O5 MolecularWeight: 394.46024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1=C(C=CC(=C1)C)O.CC(=O)C(=CC1=CC=CC=C1)C(=O)C

Isomeric SMILES

CCC(=O)CC(=O)C1=C(C=CC(=C1)C)O.CC(=O)C(=CC1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C12H14O3.C12H12O2/c1-3-9(13)7-12(15)10-6-8(2)4-5-11(10)14;1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h4-6,14H,3,7H2,1-2H3;3-8H,1-2H3