3-nitro-2-oxidanyl-4-[4-[4-[2-(phenylcarbonyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonyl-benzoic acid

Systemtic Name: 3-nitro-2-oxidanyl-4-[4-[4-[2-(phenylcarbonyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonyl-benzoic acid Openeye Name: 4-[4-[4-(2-benzoylbenzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitro-benzoic acid CAS Name: 4-[4-[4-(2-benzoyl-3-benzofuranyl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitrobenzoic acid IUPAC Name: 4-[4-[4-(2-benzoyl-1-benzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitrobenzoic acid Traditional Name: 4-[4-[4-(2-benzoylbenzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitro-benzoic acid Formula: C34H21NO10S MolecularWeight: 635.59624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC=C(C=C5)OS(=O)(=O)C6=C(C(=C(C=C6)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC=C(C=C5)OS(=O)(=O)C6=C(C(=C(C=C6)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C34H21NO10S/c36-31(23-6-2-1-3-7-23)33-29(25-8-4-5-9-27(25)44-33)22-12-10-20(11-13-22)21-14-16-24(17-15-21)45-46(42,43)28-19-18-26(34(38)39)32(37)30(28)35(40)41/h1-19,37H,(H,38,39)