4-oxidanylidene-4-[4-(3-oxidanylprop-1-ynyl)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(3-oxidanylprop-1-ynyl)phenyl]butanoic acid Openeye Name: 4-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-keto-butyric acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCO)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CCO)C(=O)CCC(=O)O

InChI

InChI=1S/C13H12O4/c14-9-1-2-10-3-5-11(6-4-10)12(15)7-8-13(16)17/h3-6,14H,7-9H2,(H,16,17)