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

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

Systemtic Name:tetraheptyl triphenylene-2,3,6,10-tetracarboxylate
Openeye Name:tetraheptyl triphenylene-2,3,6,10-tetracarboxylate
CAS Name:triphenylene-2,3,6,10-tetracarboxylic acid tetraheptyl ester
IUPAC Name:tetraheptyl triphenylene-2,3,6,10-tetracarboxylate
Traditional Name:triphenylene-2,3,6,10-tetracarboxylic acid tetraheptyl ester
Formula: C50H68O8
MolecularWeight: 797.07012
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCCC)C(=O)OCCCCCCC)C(=O)OCCCCCCC


Isomeric SMILES

CCCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCCC)C(=O)OCCCCCCC)C(=O)OCCCCCCC


InChI

InChI=1S/C50H68O8/c1-5-9-13-17-21-29-55-47(51)37-26-28-40-41(33-37)39-27-25-38(48(52)56-30-22-18-14-10-6-2)34-42(39)44-36-46(50(54)58-32-24-20-16-12-8-4)45(35-43(40)44)49(53)57-31-23-19-15-11-7-3/h25-28,33-36H,5-24,29-32H2,1-4H3


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