2-methyl-4-pyren-1-yl-but-3-yn-2-ol

Systemtic Name: 2-methyl-4-pyren-1-yl-but-3-yn-2-ol Openeye Name: 2-methyl-4-pyren-1-yl-but-3-yn-2-ol CAS Name: 2-methyl-4-(1-pyrenyl)-3-butyn-2-ol IUPAC Name: 2-methyl-4-pyren-1-ylbut-3-yn-2-ol Traditional Name: 2-methyl-4-pyren-1-yl-but-3-yn-2-ol Formula: C21H16O MolecularWeight: 284.35114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O/c1-21(2,22)13-12-14-6-7-17-9-8-15-4-3-5-16-10-11-18(14)20(17)19(15)16/h3-11,22H,1-2H3