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

Systemtic Name: 2-[4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethyl benzoate Openeye Name: 2-[4-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]ethyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 2-[4-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl]ethyl ester Formula: C29H21NO5 MolecularWeight: 463.48074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H21NO5/c31-24-15-14-23(25-26(24)28(33)22-9-5-4-8-21(22)27(25)32)30-20-12-10-18(11-13-20)16-17-35-29(34)19-6-2-1-3-7-19/h1-15,30-31H,16-17H2