2-[6-(2-methoxy-5-nitro-phenyl)sulfonyloxy-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-(2-methoxy-5-nitro-phenyl)sulfonyloxy-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-(2-methoxy-5-nitro-phenyl)sulfonyloxybenzofuran-3-yl]acetic acid CAS Name: 2-[6-(2-methoxy-5-nitrophenyl)sulfonyloxy-3-benzofuranyl]acetic acid IUPAC Name: 2-[6-(2-methoxy-5-nitrophenyl)sulfonyloxy-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-(2-methoxy-5-nitro-phenyl)sulfonyloxybenzofuran-3-yl]acetic acid Formula: C17H13NO9S MolecularWeight: 407.35142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CO3)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CO3)CC(=O)O

InChI

InChI=1S/C17H13NO9S/c1-25-14-5-2-11(18(21)22)7-16(14)28(23,24)27-12-3-4-13-10(6-17(19)20)9-26-15(13)8-12/h2-5,7-9H,6H2,1H3,(H,19,20)