4-(1-benzofuran-3-yl)-2-oxidanyl-3-(4-phenylphenoxy)sulfonyl-benzoic acid

Systemtic Name: 4-(1-benzofuran-3-yl)-2-oxidanyl-3-(4-phenylphenoxy)sulfonyl-benzoic acid Openeye Name: 4-(benzofuran-3-yl)-2-hydroxy-3-(4-phenylphenoxy)sulfonyl-benzoic acid CAS Name: 4-(3-benzofuranyl)-2-hydroxy-3-(4-phenylphenoxy)sulfonylbenzoic acid IUPAC Name: 4-(1-benzofuran-3-yl)-2-hydroxy-3-(4-phenylphenoxy)sulfonylbenzoic acid Traditional Name: 4-(benzofuran-3-yl)-2-hydroxy-3-(4-phenylphenoxy)sulfonyl-benzoic acid Formula: C27H18O7S MolecularWeight: 486.49262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3O)C(=O)O)C4=COC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3O)C(=O)O)C4=COC5=CC=CC=C54

InChI

InChI=1S/C27H18O7S/c28-25-22(27(29)30)15-14-21(23-16-33-24-9-5-4-8-20(23)24)26(25)35(31,32)34-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,28H,(H,29,30)