2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]methyl]butanoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]methyl]butanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]methyl]butanoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]methyl]butanoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]methyl]butanoic acid Traditional Name: 2-[4-(2-hydroxy-2-keto-1-methyl-ethyl)benzyl]butyric acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-3-11(14(17)18)8-10-4-6-12(7-5-10)9(2)13(15)16/h4-7,9,11H,3,8H2,1-2H3,(H,15,16)(H,17,18)