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

Systemtic Name: tetrahexyl triphenylene-2,3,6,10-tetracarboxylate Openeye Name: tetrahexyl triphenylene-2,3,6,10-tetracarboxylate CAS Name: triphenylene-2,3,6,10-tetracarboxylic acid tetrahexyl ester IUPAC Name: tetrahexyl triphenylene-2,3,6,10-tetracarboxylate Traditional Name: triphenylene-2,3,6,10-tetracarboxylic acid tetrahexyl ester Formula: C46H60O8 MolecularWeight: 740.9638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)OCCCCCC

InChI

InChI=1S/C46H60O8/c1-5-9-13-17-25-51-43(47)33-22-24-36-37(29-33)35-23-21-34(44(48)52-26-18-14-10-6-2)30-38(35)40-32-42(46(50)54-28-20-16-12-8-4)41(31-39(36)40)45(49)53-27-19-15-11-7-3/h21-24,29-32H,5-20,25-28H2,1-4H3