2-[7-(4-butylsulfonylphenyl)carbonyl-6-oxidanyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-butylsulfonylphenyl)carbonyl-6-oxidanyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-butylsulfonylbenzoyl)-6-hydroxy-benzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-butylsulfonylphenyl)-oxomethyl]-6-hydroxy-5-benzofuranyl]propanoic acid IUPAC Name: 2-[7-(4-butylsulfonylbenzoyl)-6-hydroxy-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-butylsulfonylbenzoyl)-6-hydroxy-benzofuran-5-yl]propionic acid Formula: C22H22O7S MolecularWeight: 430.47088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)C=CO3

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)C=CO3

InChI

InChI=1S/C22H22O7S/c1-3-4-11-30(27,28)16-7-5-14(6-8-16)19(23)18-20(24)17(13(2)22(25)26)12-15-9-10-29-21(15)18/h5-10,12-13,24H,3-4,11H2,1-2H3,(H,25,26)