[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4CCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4CCC5=CC=CC=C5

InChI

InChI=1S/C27H30O3/c28-25(27-15-20-12-21(16-27)14-22(13-20)17-27)18-30-26(29)24-9-5-4-8-23(24)11-10-19-6-2-1-3-7-19/h1-9,20-22H,10-18H2