1-[5-(methoxymethyl)-2-oxidanyl-phenyl]butane-1,3-dione

Systemtic Name: 1-[5-(methoxymethyl)-2-oxidanyl-phenyl]butane-1,3-dione Openeye Name: 1-[2-hydroxy-5-(methoxymethyl)phenyl]butane-1,3-dione CAS Name: 1-[2-hydroxy-5-(methoxymethyl)phenyl]butane-1,3-dione IUPAC Name: 1-[2-hydroxy-5-(methoxymethyl)phenyl]butane-1,3-dione Traditional Name: 1-[2-hydroxy-5-(methoxymethyl)phenyl]butane-1,3-dione Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(C=CC(=C1)COC)O

Isomeric SMILES

CC(=O)CC(=O)C1=C(C=CC(=C1)COC)O

InChI

InChI=1S/C12H14O4/c1-8(13)5-12(15)10-6-9(7-16-2)3-4-11(10)14/h3-4,6,14H,5,7H2,1-2H3