2-[4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl 2-tetradecyloctadecanoate

Systemtic Name: 2-[4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl 2-tetradecyloctadecanoate Openeye Name: 2-[4-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]ethyl 2-tetradecyloctadecanoate CAS Name: 2-tetradecyloctadecanoic acid 2-[4-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]ethyl ester IUPAC Name: 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate Traditional Name: 2-myristylstearic acid 2-[4-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl]ethyl ester Formula: C54H79NO5 MolecularWeight: 822.20876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C54H79NO5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-44(31-27-25-23-21-19-16-14-12-10-8-6-4-2)54(59)60-42-41-43-35-37-45(38-36-43)55-48-39-40-49(56)51-50(48)52(57)46-33-29-30-34-47(46)53(51)58/h29-30,33-40,44,55-56H,3-28,31-32,41-42H2,1-2H3