4-oxidanylidene-4-(2-oxidanyl-5-propyl-phenyl)butanoate

Systemtic Name: 4-oxidanylidene-4-(2-oxidanyl-5-propyl-phenyl)butanoate Openeye Name: 4-(2-hydroxy-5-propyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-hydroxy-5-propylphenyl)-4-oxobutanoate IUPAC Name: 4-(2-hydroxy-5-propylphenyl)-4-oxobutanoate Traditional Name: 4-(2-hydroxy-5-propyl-phenyl)-4-keto-butyrate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)C(=O)CCC(=O)[O-]

InChI

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