4-[10b,10c-dimethyl-7-(3-methyl-3-oxidanyl-but-1-ynyl)pyren-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[10b,10c-dimethyl-7-(3-methyl-3-oxidanyl-but-1-ynyl)pyren-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[7-(3-hydroxy-3-methyl-but-1-ynyl)-10b,10c-dimethyl-pyren-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[7-(3-hydroxy-3-methylbut-1-ynyl)-10b,10c-dimethyl-2-pyrenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[7-(3-hydroxy-3-methylbut-1-ynyl)-10b,10c-dimethylpyren-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[7-(3-hydroxy-3-methyl-but-1-ynyl)-10b,10c-dimethyl-pyren-2-yl]-2-methyl-but-3-yn-2-ol Formula: C28H28O2 MolecularWeight: 396.52072

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=CC=C4C2(C(=CC(=C4)C#CC(C)(C)O)C=C3)C)C#CC(C)(C)O

Isomeric SMILES

CC12C3=CC(=CC1=CC=C4C2(C(=CC(=C4)C#CC(C)(C)O)C=C3)C)C#CC(C)(C)O

InChI

InChI=1S/C28H28O2/c1-25(2,29)13-11-19-15-21-7-9-23-17-20(12-14-26(3,4)30)18-24-10-8-22(16-19)27(21,5)28(23,24)6/h7-10,15-18,29-30H,1-6H3