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

Systemtic Name: 1-[6-(3,6,7,10,11-pentaheptoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Openeye Name: 1-[6-(3,6,7,10,11-pentaheptoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione CAS Name: 1-[6-[(3,6,7,10,11-pentaheptoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione IUPAC Name: 1-[6-(3,6,7,10,11-pentaheptoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Traditional Name: 1-[6-(3,6,7,10,11-pentaheptoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone Formula: C73H100O9 MolecularWeight: 1121.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCC)OCCCCCCC)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCC)OCCCCCCC)OCCCCCCC

InChI

InChI=1S/C73H100O9/c1-6-11-16-21-30-43-77-65-49-58-59-50-66(78-44-31-22-17-12-7-2)68(80-46-33-24-19-14-9-4)52-61(59)63-54-70(69(81-47-34-25-20-15-10-5)53-62(63)60(58)51-67(65)79-45-32-23-18-13-8-3)82-48-36-27-26-35-42-76-64-41-37-40-57-71(64)73(75)56-39-29-28-38-55(56)72(57)74/h28-29,37-41,49-54H,6-27,30-36,42-48H2,1-5H3