4-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[9,9-diheptyl-7-[2-(1-pyrenyl)ethynyl]-2-fluorenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]-2-methyl-but-3-yn-2-ol Formula: C50H52O MolecularWeight: 668.94728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=C(C=CC(=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=C(C=C7)C#CC(C)(C)O)CCCCCCC

Isomeric SMILES

CCCCCCCC1(C2=C(C=CC(=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=C(C=C7)C#CC(C)(C)O)CCCCCCC

InChI

InChI=1S/C50H52O/c1-5-7-9-11-13-31-50(32-14-12-10-8-6-2)45-34-36(19-27-43(45)44-28-20-37(35-46(44)50)30-33-49(3,4)51)18-21-38-22-23-41-25-24-39-16-15-17-40-26-29-42(38)48(41)47(39)40/h15-17,19-20,22-29,34-35,51H,5-14,31-32H2,1-4H3