[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H24ClNO5 MolecularWeight: 477.93616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C27H24ClNO5/c28-23-20(6-5-19-22(23)25(32)18-4-2-1-3-17(18)24(19)31)26(33)34-13-21(30)29-27-10-14-7-15(11-27)9-16(8-14)12-27/h1-6,14-16H,7-13H2,(H,29,30)