1,8-bis(10-octadecyl-1,7-dioxa-4,10-diazacyclododec-4-yl)anthracene-9,10-dione

Systemtic Name: 1,8-bis(10-octadecyl-1,7-dioxa-4,10-diazacyclododec-4-yl)anthracene-9,10-dione Openeye Name: 1,8-bis(10-octadecyl-1,7-dioxa-4,10-diazacyclododec-4-yl)anthracene-9,10-dione CAS Name: 1,8-bis(10-octadecyl-1,7-dioxa-4,10-diazacyclododec-4-yl)anthracene-9,10-dione IUPAC Name: 1,8-bis(10-octadecyl-1,7-dioxa-4,10-diazacyclododec-4-yl)anthracene-9,10-dione Traditional Name: 1,8-bis(10-stearyl-1,7-dioxa-4,10-diazacyclododec-4-yl)-9,10-anthraquinone Formula: C66H112N4O6 MolecularWeight: 1057.61868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCOCCN(CCOCC1)C2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4N5CCOCCN(CCOCC5)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCOCCN(CCOCC1)C2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4N5CCOCCN(CCOCC5)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C66H112N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-67-43-51-73-55-47-69(48-56-74-52-44-67)61-39-35-37-59-63(61)66(72)64-60(65(59)71)38-36-40-62(64)70-49-57-75-53-45-68(46-54-76-58-50-70)42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-40H,3-34,41-58H2,1-2H3