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

Systemtic Name: 2-acetyloxy-4-[4-[4-(1-benzofuran-3-yl)phenyl]phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-[4-(benzofuran-3-yl)phenyl]phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-[4-(3-benzofuranyl)phenyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-[4-(1-benzofuran-3-yl)phenyl]phenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-[4-(benzofuran-3-yl)phenyl]phenoxy]sulfonyl-benzoic acid Formula: C29H20O8S MolecularWeight: 528.5293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=COC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=COC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C29H20O8S/c1-18(30)36-28-16-23(14-15-25(28)29(31)32)38(33,34)37-22-12-10-20(11-13-22)19-6-8-21(9-7-19)26-17-35-27-5-3-2-4-24(26)27/h2-17H,1H3,(H,31,32)