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

Systemtic Name: 4-[2-bromanyl-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-bromo-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-bromo-4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-bromophenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-bromo-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C34H23BrO7S MolecularWeight: 655.51122

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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)Br

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)Br

InChI

InChI=1S/C34H23BrO7S/c35-28-19-24(14-17-31(28)42-43(39,40)25-15-16-26(34(37)38)29(36)20-25)22-10-12-23(13-11-22)33-27-8-4-5-9-30(27)41-32(33)18-21-6-2-1-3-7-21/h1-17,19-20,36H,18H2,(H,37,38)