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

Systemtic Name: 4-[2-nitro-4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[2-nitro-4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 4-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-nitrophenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]sulfonyl-2-hydroxy-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=CC(=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=CC(=C(C=C6)C(=O)O)O)[N+](=O)[O-]

InChI

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