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

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzofuran-2-carboxylic acid CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-benzofurancarboxylic acid IUPAC Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]coumarilic acid Formula: C27H34O5 MolecularWeight: 438.55586

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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(=C3)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(=C3)C(=O)O

InChI

InChI=1S/C27H34O5/c1-7-27(8-2,20-10-12-22-18(14-20)15-23(32-22)25(29)30)19-9-11-21(17(3)13-19)31-16-24(28)26(4,5)6/h9-15,24,28H,7-8,16H2,1-6H3,(H,29,30)