[4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: [4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: [4-(4-nitrophenyl)-2-oxo-chromen-7-yl] 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid [4-(4-nitrophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-nitrophenyl)-2-oxochromen-7-yl] 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid [2-keto-4-(4-nitrophenyl)chromen-7-yl] ester Formula: C23H15NO8S MolecularWeight: 465.4321

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO8S/c25-23-13-20(14-1-3-16(4-2-14)24(26)27)19-7-5-17(12-22(19)31-23)32-33(28,29)18-6-8-21-15(11-18)9-10-30-21/h1-8,11-13H,9-10H2