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

Systemtic Name: 2-acetyloxy-4-[4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-[2-(2-butylbenzofuran-3-yl)ethyl]phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-[2-(2-butyl-3-benzofuranyl)ethyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-[2-(2-butylbenzofuran-3-yl)ethyl]phenoxy]sulfonyl-benzoic acid Formula: C29H28O8S MolecularWeight: 536.59282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CCC3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)OC(=O)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CCC3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)OC(=O)C

InChI

InChI=1S/C29H28O8S/c1-3-4-8-26-24(23-7-5-6-9-27(23)36-26)16-12-20-10-13-21(14-11-20)37-38(33,34)22-15-17-25(29(31)32)28(18-22)35-19(2)30/h5-7,9-11,13-15,17-18H,3-4,8,12,16H2,1-2H3,(H,31,32)