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4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid

4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid

Systemtic Name:4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid
Openeye Name:4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid
CAS Name:4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid
IUPAC Name:4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid
Traditional Name:4-(2-methoxy-4-methylol-5-nitro-phenoxy)butyric acid
Formula: C12H15NO7
MolecularWeight: 285.25
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCCCC(=O)O


Isomeric SMILES

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCCCC(=O)O


InChI

InChI=1S/C12H15NO7/c1-19-10-5-8(7-14)9(13(17)18)6-11(10)20-4-2-3-12(15)16/h5-6,14H,2-4,7H2,1H3,(H,15,16)


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