2-[7-(4-butylsulfonylphenyl)carbonyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-butylsulfonylphenyl)carbonyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-butylsulfonylbenzoyl)benzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-butylsulfonylphenyl)-oxomethyl]-5-benzofuranyl]propanoic acid IUPAC Name: 2-[7-(4-butylsulfonylbenzoyl)-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-butylsulfonylbenzoyl)benzofuran-5-yl]propionic acid Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)C(C)C(=O)O)C=CO3

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)C(C)C(=O)O)C=CO3

InChI

InChI=1S/C22H22O6S/c1-3-4-11-29(26,27)18-7-5-15(6-8-18)20(23)19-13-17(14(2)22(24)25)12-16-9-10-28-21(16)19/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25)