5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-3-methyl-coumarilic acid Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)OC(=C3C)C(=O)O

InChI

InChI=1S/C28H36O5/c1-8-28(9-2,20-11-13-23-21(15-20)18(4)25(33-23)26(30)31)19-10-12-22(17(3)14-19)32-16-24(29)27(5,6)7/h10-15,24,29H,8-9,16H2,1-7H3,(H,30,31)