7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]heptanoic acid

Systemtic Name: 7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]heptanoic acid Openeye Name: 7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)phenyl]heptanoic acid CAS Name: 7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)phenyl]heptanoic acid IUPAC Name: 7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)phenyl]heptanoic acid Traditional Name: 7-[4-(5-methoxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)phenyl]enanthic acid Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CCCCCCC(=O)O

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CCCCCCC(=O)O

InChI

InChI=1S/C27H36O4/c1-17-18(2)26-23(19(3)25(17)30-6)24(27(4,5)31-26)21-15-13-20(14-16-21)11-9-7-8-10-12-22(28)29/h13-16,24H,7-12H2,1-6H3,(H,28,29)