3,5,6-tris(2-methylbut-3-yn-2-yloxy)-1-oxidanyl-xanthen-9-one

Systemtic Name: 3,5,6-tris(2-methylbut-3-yn-2-yloxy)-1-oxidanyl-xanthen-9-one Openeye Name: 3,5,6-tris(1,1-dimethylprop-2-ynoxy)-1-hydroxy-xanthen-9-one CAS Name: 1-hydroxy-3,5,6-tris(2-methylbut-3-yn-2-yloxy)-9-xanthenone IUPAC Name: 1-hydroxy-3,5,6-tris(2-methylbut-3-yn-2-yloxy)xanthen-9-one Traditional Name: 3,5,6-tris(1,1-dimethylprop-2-ynoxy)-1-hydroxy-xanthone Formula: C28H26O6 MolecularWeight: 458.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)OC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OC(C)(C)C#C)O)OC(C)(C)C#C

Isomeric SMILES

CC(C)(C#C)OC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OC(C)(C)C#C)O)OC(C)(C)C#C

InChI

InChI=1S/C28H26O6/c1-10-26(4,5)32-17-15-19(29)22-21(16-17)31-24-18(23(22)30)13-14-20(33-27(6,7)11-2)25(24)34-28(8,9)12-3/h1-3,13-16,29H,4-9H3