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1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol

1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol

Systemtic Name:1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol
Openeye Name:1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol
CAS Name:1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol
IUPAC Name:1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol
Traditional Name:1,1,1,8,8,8-hexakis-phenylocta-3,5-diyne-2,7-diol
Formula: C44H34O2
MolecularWeight: 594.73956
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C#CC#CC(C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C#CC#CC(C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O


InChI

InChI=1S/C44H34O2/c45-41(43(35-21-7-1-8-22-35,36-23-9-2-10-24-36)37-25-11-3-12-26-37)33-19-20-34-42(46)44(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-18,21-32,41-42,45-46H


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