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

Systemtic Name: 2-[3-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl 2-methylicosanoate Openeye Name: 2-[3-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]ethyl 2-methylicosanoate CAS Name: 2-methyleicosanoic 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-methylicosanoate Traditional Name: 2-methylarachidic acid 2-[3-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl]ethyl ester Formula: C43H57NO5 MolecularWeight: 667.91638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H57NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32(2)43(48)49-30-29-33-23-21-24-34(31-33)44-37-27-28-38(45)40-39(37)41(46)35-25-19-20-26-36(35)42(40)47/h19-21,23-28,31-32,44-45H,3-18,22,29-30H2,1-2H3