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

Systemtic Name: 1-[6-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Openeye Name: 1-[6-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione CAS Name: 1-[6-[(3,6,7,10,11-pentakis-decoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione IUPAC Name: 1-[6-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Traditional Name: 1-[6-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone Formula: C88H130O9 MolecularWeight: 1331.9684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C88H130O9/c1-6-11-16-21-26-31-36-45-58-92-80-64-73-74-65-81(93-59-46-37-32-27-22-17-12-7-2)83(95-61-48-39-34-29-24-19-14-9-4)67-76(74)78-69-85(97-63-51-42-41-50-57-91-79-56-52-55-72-86(79)88(90)71-54-44-43-53-70(71)87(72)89)84(96-62-49-40-35-30-25-20-15-10-5)68-77(78)75(73)66-82(80)94-60-47-38-33-28-23-18-13-8-3/h43-44,52-56,64-69H,6-42,45-51,57-63H2,1-5H3