2-(4,5-dimethoxy-2-nitro-phenyl)-6-oxidanyl-hexanoic acid

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-6-oxidanyl-hexanoic acid Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-6-hydroxy-hexanoic acid CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-6-hydroxyhexanoic acid IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)-6-hydroxyhexanoic acid Traditional Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-6-hydroxy-hexanoic acid Formula: C14H19NO7 MolecularWeight: 313.30316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CCCCO)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CCCCO)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C14H19NO7/c1-21-12-7-10(9(14(17)18)5-3-4-6-16)11(15(19)20)8-13(12)22-2/h7-9,16H,3-6H2,1-2H3,(H,17,18)