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

Systemtic Name: tetrapentyl triphenylene-2,3,6,10-tetracarboxylate Openeye Name: tetrapentyl triphenylene-2,3,6,10-tetracarboxylate CAS Name: triphenylene-2,3,6,10-tetracarboxylic acid tetrapentyl ester IUPAC Name: tetrapentyl triphenylene-2,3,6,10-tetracarboxylate Traditional Name: triphenylene-2,3,6,10-tetracarboxylic acid tetraamyl ester Formula: C42H52O8 MolecularWeight: 684.85748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCC)C(=O)OCCCCC)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)C3=CC(=C(C=C3C4=C2C=CC(=C4)C(=O)OCCCCC)C(=O)OCCCCC)C(=O)OCCCCC

InChI

InChI=1S/C42H52O8/c1-5-9-13-21-47-39(43)29-18-20-32-33(25-29)31-19-17-30(40(44)48-22-14-10-6-2)26-34(31)36-28-38(42(46)50-24-16-12-8-4)37(27-35(32)36)41(45)49-23-15-11-7-3/h17-20,25-28H,5-16,21-24H2,1-4H3