1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol

Systemtic Name: 1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol Openeye Name: 1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol CAS Name: 1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol IUPAC Name: 1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol Traditional Name: 1,1,7,7-tetrakis(2,4-dimethylphenyl)hepta-2,5-diyne-1,4,7-triol Formula: C39H40O3 MolecularWeight: 556.7331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C#CC(C#CC(C2=C(C=C(C=C2)C)C)(C3=C(C=C(C=C3)C)C)O)O)(C4=C(C=C(C=C4)C)C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C#CC(C#CC(C2=C(C=C(C=C2)C)C)(C3=C(C=C(C=C3)C)C)O)O)(C4=C(C=C(C=C4)C)C)O)C

InChI

InChI=1S/C39H40O3/c1-25-9-13-34(29(5)21-25)38(41,35-14-10-26(2)22-30(35)6)19-17-33(40)18-20-39(42,36-15-11-27(3)23-31(36)7)37-16-12-28(4)24-32(37)8/h9-16,21-24,33,40-42H,1-8H3