2-[4-[4-(carboxymethyloxy)-3-nitro-phenyl]sulfonyl-2-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(carboxymethyloxy)-3-nitro-phenyl]sulfonyl-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(carboxymethyloxy)-3-nitro-phenyl]sulfonyl-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[4-(carboxymethyloxy)-3-nitrophenyl]sulfonyl-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[4-(carboxymethyloxy)-3-nitrophenyl]sulfonyl-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[4-(carboxymethyloxy)-3-nitro-phenyl]sulfonyl-2-nitro-phenoxy]acetic acid Formula: C16H12N2O12S MolecularWeight: 456.33768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C16H12N2O12S/c19-15(20)7-29-13-3-1-9(5-11(13)17(23)24)31(27,28)10-2-4-14(30-8-16(21)22)12(6-10)18(25)26/h1-6H,7-8H2,(H,19,20)(H,21,22)