2-methyl-4-(6-octylpyren-1-yl)but-3-yn-2-ol

Systemtic Name: 2-methyl-4-(6-octylpyren-1-yl)but-3-yn-2-ol Openeye Name: 2-methyl-4-(6-octylpyren-1-yl)but-3-yn-2-ol CAS Name: 2-methyl-4-(6-octyl-1-pyrenyl)-3-butyn-2-ol IUPAC Name: 2-methyl-4-(6-octylpyren-1-yl)but-3-yn-2-ol Traditional Name: 2-methyl-4-(6-octylpyren-1-yl)but-3-yn-2-ol Formula: C29H32O MolecularWeight: 396.56378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C29H32O/c1-4-5-6-7-8-9-10-21-11-13-23-16-18-26-22(19-20-29(2,3)30)12-14-24-15-17-25(21)27(23)28(24)26/h11-18,30H,4-10H2,1-3H3