2-methyl-4-[3,6,8-tris(3-methyl-3-oxidanyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[3,6,8-tris(3-methyl-3-oxidanyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[3,6,8-tris(3-hydroxy-3-methyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol CAS Name: 2-methyl-4-[3,6,8-tris(3-hydroxy-3-methylbut-1-ynyl)-1-pyrenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[3,6,8-tris(3-hydroxy-3-methylbut-1-ynyl)pyren-1-yl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[3,6,8-tris(3-hydroxy-3-methyl-but-1-ynyl)pyren-1-yl]but-3-yn-2-ol Formula: C36H34O4 MolecularWeight: 530.65276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)C#CC(C)(C)O)C#CC(C)(C)O)C#CC(C)(C)O)O

Isomeric SMILES

CC(C)(C#CC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)C#CC(C)(C)O)C#CC(C)(C)O)C#CC(C)(C)O)O

InChI

InChI=1S/C36H34O4/c1-33(2,37)17-13-23-21-24(14-18-34(3,4)38)28-11-12-30-26(16-20-36(7,8)40)22-25(15-19-35(5,6)39)29-10-9-27(23)31(28)32(29)30/h9-12,21-22,37-40H,1-8H3