2-methyl-4-[8-(3-methyl-3-oxidanyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[8-(3-methyl-3-oxidanyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol Openeye Name: 4-[8-(3-hydroxy-3-methyl-but-1-ynyl)pyren-1-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-pyrenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[8-(3-hydroxy-3-methylbut-1-ynyl)pyren-1-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[8-(3-hydroxy-3-methyl-but-1-ynyl)pyren-1-yl]-2-methyl-but-3-yn-2-ol Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C#CC(C)(C)O)O

Isomeric SMILES

CC(C)(C#CC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C#CC(C)(C)O)O

InChI

InChI=1S/C26H22O2/c1-25(2,27)15-13-17-5-7-19-9-10-20-8-6-18(14-16-26(3,4)28)22-12-11-21(17)23(19)24(20)22/h5-12,27-28H,1-4H3