[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H25ClO4 MolecularWeight: 436.9273

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClO4/c27-20-7-5-19(6-8-20)24(29)21-3-1-2-4-22(21)25(30)31-15-23(28)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2