6,7,10,11-tetrapentoxytriphenylene-2,3-dicarboxylic acid

Systemtic Name: 6,7,10,11-tetrapentoxytriphenylene-2,3-dicarboxylic acid Openeye Name: 6,7,10,11-tetrapentoxytriphenylene-2,3-dicarboxylic acid CAS Name: 6,7,10,11-tetrapentoxytriphenylene-2,3-dicarboxylic acid IUPAC Name: 6,7,10,11-tetrapentoxytriphenylene-2,3-dicarboxylic acid Traditional Name: 6,7,10,11-tetraamoxytriphenylene-2,3-dicarboxylic acid Formula: C40H52O8 MolecularWeight: 660.83608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C42)OCCCCC)OCCCCC)C(=O)O)C(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C42)OCCCCC)OCCCCC)C(=O)O)C(=O)O)OCCCCC

InChI

InChI=1S/C40H52O8/c1-5-9-13-17-45-35-23-29-27-21-33(39(41)42)34(40(43)44)22-28(27)30-24-36(46-18-14-10-6-2)38(48-20-16-12-8-4)26-32(30)31(29)25-37(35)47-19-15-11-7-3/h21-26H,5-20H2,1-4H3,(H,41,42)(H,43,44)