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

Systemtic Name: 3-nitro-2-oxidanyl-4-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonyl-benzoic acid Openeye Name: 4-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitro-benzoic acid CAS Name: 2-hydroxy-3-nitro-4-[4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 4-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitrobenzoic acid Traditional Name: 4-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxy-3-nitro-benzoic acid Formula: C34H23NO9S MolecularWeight: 621.61272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=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)CC2=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/C34H23NO9S/c36-33-27(34(37)38)18-19-30(32(33)35(39)40)45(41,42)44-25-16-14-23(15-17-25)22-10-12-24(13-11-22)31-26-8-4-5-9-28(26)43-29(31)20-21-6-2-1-3-7-21/h1-19,36H,20H2,(H,37,38)