(E)-6-(4,6-ditert-butyl-2-methyl-5-oxidanyl-3H-1-benzofuran-2-yl)hex-5-enoic acid

Systemtic Name: (E)-6-(4,6-ditert-butyl-2-methyl-5-oxidanyl-3H-1-benzofuran-2-yl)hex-5-enoic acid Openeye Name: (E)-6-(4,6-ditert-butyl-5-hydroxy-2-methyl-3H-benzofuran-2-yl)hex-5-enoic acid CAS Name: (E)-6-(4,6-ditert-butyl-5-hydroxy-2-methyl-3H-benzofuran-2-yl)-5-hexenoic acid IUPAC Name: (E)-6-(4,6-ditert-butyl-5-hydroxy-2-methyl-3H-1-benzofuran-2-yl)hex-5-enoic acid Traditional Name: (E)-6-(4,6-ditert-butyl-5-hydroxy-2-methyl-coumaran-2-yl)hex-5-enoic acid Formula: C23H34O4 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)O)C(C)(C)C)C=CCCCC(=O)O

Isomeric SMILES

CC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)O)C(C)(C)C)/C=C/CCCC(=O)O

InChI

InChI=1S/C23H34O4/c1-21(2,3)16-13-17-15(19(20(16)26)22(4,5)6)14-23(7,27-17)12-10-8-9-11-18(24)25/h10,12-13,26H,8-9,11,14H2,1-7H3,(H,24,25)/b12-10+