5-[4-(hydroxymethyl)phenyl]-4-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(hydroxymethyl)phenyl]-4-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 4-hydroxy-5-[4-(hydroxymethyl)phenyl]-5-oxo-pentanoate CAS Name: 4-hydroxy-5-[4-(hydroxymethyl)phenyl]-5-oxopentanoate IUPAC Name: 4-hydroxy-5-[4-(hydroxymethyl)phenyl]-5-oxopentanoate Traditional Name: 4-hydroxy-5-keto-5-(4-methylolphenyl)valerate Formula: C12H13O5- MolecularWeight: 237.22862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO)C(=O)C(CCC(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CO)C(=O)C(CCC(=O)[O-])O

InChI

InChI=1S/C12H14O5/c13-7-8-1-3-9(4-2-8)12(17)10(14)5-6-11(15)16/h1-4,10,13-14H,5-7H2,(H,15,16)/p-1