5-[(2-methyl-3-nonoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(2-methyl-3-nonoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[nonoxy(oxo)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[(2-methyl-3-nonoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C30H33NO8S MolecularWeight: 567.64992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C30H33NO8S/c1-3-4-5-6-7-8-11-16-38-30(35)27-19(2)39-28-22-13-10-9-12-21(22)25(18-24(27)28)31-40(36,37)20-14-15-26(32)23(17-20)29(33)34/h9-10,12-15,17-18,31-32H,3-8,11,16H2,1-2H3,(H,33,34)