3-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonylbenzoic acid

Systemtic Name: 3-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]sulfonylbenzoic acid Openeye Name: 3-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenoxy]sulfonylbenzoic acid CAS Name: 3-[4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 3-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenoxy]sulfonylbenzoic acid Traditional Name: 3-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenoxy]sulfonylbenzoic acid Formula: C34H24O6S MolecularWeight: 560.61576

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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=CC(=C6)C(=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=CC(=C6)C(=O)O

InChI

InChI=1S/C34H24O6S/c35-34(36)27-9-6-10-29(22-27)41(37,38)40-28-19-17-25(18-20-28)24-13-15-26(16-14-24)33-30-11-4-5-12-31(30)39-32(33)21-23-7-2-1-3-8-23/h1-20,22H,21H2,(H,35,36)