2-[3-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl 2-hexadecylicosanoate

Systemtic Name: 2-[3-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl 2-hexadecylicosanoate Openeye Name: 2-[3-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]ethyl 2-hexadecylicosanoate CAS Name: 2-hexadecyleicosanoic acid 2-[3-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]ethyl ester IUPAC Name: 2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-hexadecylicosanoate Traditional Name: 2-cetylarachidic acid 2-[3-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl]ethyl ester Formula: C58H87NO5 MolecularWeight: 878.31508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCCC1=CC(=CC=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCCC1=CC(=CC=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C58H87NO5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-38-48(37-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)58(63)64-45-44-47-36-35-39-49(46-47)59-52-42-43-53(60)55-54(52)56(61)50-40-33-34-41-51(50)57(55)62/h33-36,39-43,46,48,59-60H,3-32,37-38,44-45H2,1-2H3