1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-4-cyclopropyl-but-2-yne-1,4-diol

Systemtic Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-4-cyclopropyl-but-2-yne-1,4-diol Openeye Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-4-cyclopropyl-but-2-yne-1,4-diol CAS Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-4-cyclopropyl-2-butyne-1,4-diol IUPAC Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-4-cyclopropylbut-2-yne-1,4-diol Traditional Name: 1-(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-4-cyclopropyl-but-2-yne-1,4-diol Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C21)C(C#CC(C3CC3)O)O)C(C)(C)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C21)C(C#CC(C3CC3)O)O)C(C)(C)C)C

InChI

InChI=1S/C21H28O3/c1-20(2,3)15-10-14(11-16-19(15)24-12-21(16,4)5)18(23)9-8-17(22)13-6-7-13/h10-11,13,17-18,22-23H,6-7,12H2,1-5H3