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

Systemtic Name: 4-[4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-[2-(2-butylbenzofuran-3-yl)ethyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[2-(2-butyl-3-benzofuranyl)ethyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-[2-(2-butylbenzofuran-3-yl)ethyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C27H26O7S MolecularWeight: 494.55614

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26O7S/c1-2-3-7-25-22(21-6-4-5-8-26(21)33-25)15-11-18-9-12-19(13-10-18)34-35(31,32)20-14-16-23(27(29)30)24(28)17-20/h4-6,8-10,12-14,16-17,28H,2-3,7,11,15H2,1H3,(H,29,30)