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

Systemtic Name: 2-[6-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxy-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxybenzofuran-3-yl]acetic acid CAS Name: 2-[6-(2,3-dimethyl-5-nitrophenyl)sulfonyloxy-3-benzofuranyl]acetic acid IUPAC Name: 2-[6-(2,3-dimethyl-5-nitrophenyl)sulfonyloxy-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxybenzofuran-3-yl]acetic acid Formula: C18H15NO8S MolecularWeight: 405.3786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)C(=CO3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)C(=CO3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO8S/c1-10-5-13(19(22)23)7-17(11(10)2)28(24,25)27-14-3-4-15-12(6-18(20)21)9-26-16(15)8-14/h3-5,7-9H,6H2,1-2H3,(H,20,21)