4-[[3-chloranyl-5-(hydroxymethyl)phenyl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-5-(hydroxymethyl)phenyl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-5-(hydroxymethyl)phenyl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-5-(hydroxymethyl)phenyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-5-(hydroxymethyl)phenyl]methoxy]-4-oxobutanoic acid Traditional Name: 4-(3-chloro-5-methylol-benzyl)oxy-4-keto-butyric acid Formula: C12H13ClO5 MolecularWeight: 272.68162

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1COC(=O)CCC(=O)O)Cl)CO

Isomeric SMILES

C1=C(C=C(C=C1COC(=O)CCC(=O)O)Cl)CO

InChI

InChI=1S/C12H13ClO5/c13-10-4-8(6-14)3-9(5-10)7-18-12(17)2-1-11(15)16/h3-5,14H,1-2,6-7H2,(H,15,16)