1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione

Systemtic Name: 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Openeye Name: 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione CAS Name: 1-[6-[(3,6,7,10,11-pentaoctoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione IUPAC Name: 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Traditional Name: 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone Formula: C78H110O9 MolecularWeight: 1191.7026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C78H110O9/c1-6-11-16-21-26-35-48-82-70-54-63-64-55-71(83-49-36-27-22-17-12-7-2)73(85-51-38-29-24-19-14-9-4)57-66(64)68-59-75(74(86-52-39-30-25-20-15-10-5)58-67(68)65(63)56-72(70)84-50-37-28-23-18-13-8-3)87-53-41-32-31-40-47-81-69-46-42-45-62-76(69)78(80)61-44-34-33-43-60(61)77(62)79/h33-34,42-46,54-59H,6-32,35-41,47-53H2,1-5H3