(1-ethanoylperoxy-9,10,11,12-tetrapentoxy-triphenylen-2-yl) ethaneperoxoate

Systemtic Name: (1-ethanoylperoxy-9,10,11,12-tetrapentoxy-triphenylen-2-yl) ethaneperoxoate Openeye Name: (1-acetylperoxy-9,10,11,12-tetrapentoxy-triphenylen-2-yl) peroxyacetate CAS Name: ethaneperoxoic acid (1-acetyldioxy-9,10,11,12-tetrapentoxy-2-triphenylenyl) ester IUPAC Name: (1-acetylperoxy-9,10,11,12-tetrapentoxytriphenylen-2-yl) ethaneperoxoate Traditional Name: peracetic acid (1-acetylperoxy-9,10,11,12-tetraamoxy-triphenylen-2-yl) ester Formula: C42H56O10 MolecularWeight: 720.88804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1C3=CC=CC=C3C4=C2C(=C(C=C4)OOC(=O)C)OOC(=O)C)OCCCCC)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1C3=CC=CC=C3C4=C2C(=C(C=C4)OOC(=O)C)OOC(=O)C)OCCCCC)OCCCCC)OCCCCC

InChI

InChI=1S/C42H56O10/c1-7-11-17-25-45-39-36-32-22-16-15-21-31(32)33-23-24-34(51-49-29(5)43)38(52-50-30(6)44)35(33)37(36)40(46-26-18-12-8-2)42(48-28-20-14-10-4)41(39)47-27-19-13-9-3/h15-16,21-24H,7-14,17-20,25-28H2,1-6H3