3-[(3-methoxy-4-oxidanyl-phenyl)methyl]pentane-2,4-dione

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methyl]pentane-2,4-dione Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methyl]pentane-2,4-dione CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methyl]pentane-2,4-dione IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methyl]pentane-2,4-dione Traditional Name: 3-vanillylpentane-2,4-dione Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)C

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)C

InChI

InChI=1S/C13H16O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-5,7,11,16H,6H2,1-3H3