[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H25NO6/c29-22(13-34-25(32)26-9-15-7-16(10-26)12-27(33,11-15)14-26)28-17-5-6-20-21(8-17)24(31)19-4-2-1-3-18(19)23(20)30/h1-6,8,15-16,33H,7,9-14H2,(H,28,29)