4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diphenyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diphenyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diphenyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diphenylphenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diphenylphenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diphenyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C38H30O8S MolecularWeight: 646.705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)C4=CC=CC=C4)OS(=O)(=O)C5=CC(=C(C=C5)C(=O)O)O)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)C4=CC=CC=C4)OS(=O)(=O)C5=CC(=C(C=C5)C(=O)O)O)C6=CC=CC=C6

InChI

InChI=1S/C38H30O8S/c1-2-3-17-34-35(29-16-10-11-18-33(29)45-34)36(40)26-21-30(24-12-6-4-7-13-24)37(31(22-26)25-14-8-5-9-15-25)46-47(43,44)27-19-20-28(38(41)42)32(39)23-27/h4-16,18-23,39H,2-3,17H2,1H3,(H,41,42)