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

Systemtic Name: 1-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Openeye Name: 1-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione CAS Name: 1-[6-[(3,6,7,10,11-pentapentoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione IUPAC Name: 1-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione Traditional Name: 1-[6-(3,6,7,10,11-pentaamoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone Formula: C63H80O9 MolecularWeight: 981.3039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCC)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCC)OCCCCCCOC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)OCCCCC)OCCCCC)OCCCCC

InChI

InChI=1S/C63H80O9/c1-6-11-20-32-67-55-39-48-49-40-56(68-33-21-12-7-2)58(70-35-23-14-9-4)42-51(49)53-44-60(59(71-36-24-15-10-5)43-52(53)50(48)41-57(55)69-34-22-13-8-3)72-38-26-17-16-25-37-66-54-31-27-30-47-61(54)63(65)46-29-19-18-28-45(46)62(47)64/h18-19,27-31,39-44H,6-17,20-26,32-38H2,1-5H3