2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]-1-benzofuran-6-carboxylic acid

Systemtic Name: 2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]-1-benzofuran-6-carboxylic acid Openeye Name: 2-[3-(1,1-dimethyldecyl)-4-methoxy-phenyl]benzofuran-6-carboxylic acid CAS Name: 2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]-6-benzofurancarboxylic acid IUPAC Name: 2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]-1-benzofuran-6-carboxylic acid Traditional Name: 2-[3-(1,1-dimethyldecyl)-4-methoxy-phenyl]benzofuran-6-carboxylic acid Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(O2)C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(O2)C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C28H36O4/c1-5-6-7-8-9-10-11-16-28(2,3)23-17-20(14-15-24(23)31-4)25-18-21-12-13-22(27(29)30)19-26(21)32-25/h12-15,17-19H,5-11,16H2,1-4H3,(H,29,30)