[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H21BrO3/c20-16-3-1-15(2-4-16)18(22)23-11-17(21)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2