6-decyl-3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran

Systemtic Name: 6-decyl-3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran Openeye Name: 6-decyl-3-methyl-3-phenyl-4-(trifluoromethyl)-1H-isobenzofuran CAS Name: 6-decyl-3-methyl-3-phenyl-4-(trifluoromethyl)-1H-isobenzofuran IUPAC Name: 6-decyl-3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran Traditional Name: 5-decyl-1-methyl-1-phenyl-7-(trifluoromethyl)phthalan Formula: C26H33F3O MolecularWeight: 418.53483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C2C(=C1)COC2(C)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CC(=C2C(=C1)COC2(C)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C26H33F3O/c1-3-4-5-6-7-8-9-11-14-20-17-21-19-30-25(2,22-15-12-10-13-16-22)24(21)23(18-20)26(27,28)29/h10,12-13,15-18H,3-9,11,14,19H2,1-2H3