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tetraoctyl triphenylene-2,3,6,10-tetracarboxylate

tetraoctyl triphenylene-2,3,6,10-tetracarboxylate

Systemtic Name:tetraoctyl triphenylene-2,3,6,10-tetracarboxylate
Openeye Name:tetraoctyl triphenylene-2,3,6,10-tetracarboxylate
CAS Name:triphenylene-2,3,6,10-tetracarboxylic acid tetraoctyl ester
IUPAC Name:tetraoctyl triphenylene-2,3,6,10-tetracarboxylate
Traditional Name:triphenylene-2,3,6,10-tetracarboxylic acid tetraoctyl ester
Formula: C54H76O8
MolecularWeight: 853.17644
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC


Isomeric SMILES

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC


InChI

InChI=1S/C54H76O8/c1-5-9-13-17-21-25-33-59-51(55)41-30-32-44-45(37-41)43-31-29-42(52(56)60-34-26-22-18-14-10-6-2)38-46(43)48-40-50(54(58)62-36-28-24-20-16-12-8-4)49(39-47(44)48)53(57)61-35-27-23-19-15-11-7-3/h29-32,37-40H,5-28,33-36H2,1-4H3


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