4-[(7,7-dimethyl-9-oxidanylidene-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(7,7-dimethyl-9-oxidanylidene-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid CAS Name: 4-[(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-[(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(9-keto-7,7-dimethyl-6,8-dihydrodibenzofuran-2-yl)sulfamoyl]benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H19NO6S/c1-21(2)10-16(23)19-15-9-13(5-8-17(15)28-18(19)11-21)22-29(26,27)14-6-3-12(4-7-14)20(24)25/h3-9,22H,10-11H2,1-2H3,(H,24,25)