3-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid Openeye Name: 3-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid CAS Name: 3-(3,4-dichlorophenyl)-4-nitroheptanedioic acid IUPAC Name: 3-(3,4-dichlorophenyl)-4-nitroheptanedioic acid Traditional Name: 3-(3,4-dichlorophenyl)-4-nitro-pimelic acid Formula: C13H13Cl2NO6 MolecularWeight: 350.15142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC(=O)O)C(CCC(=O)O)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CC(=O)O)C(CCC(=O)O)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C13H13Cl2NO6/c14-9-2-1-7(5-10(9)15)8(6-13(19)20)11(16(21)22)3-4-12(17)18/h1-2,5,8,11H,3-4,6H2,(H,17,18)(H,19,20)