1-adamantylmethyl 4-bromanylbenzoate

Systemtic Name: 1-adamantylmethyl 4-bromanylbenzoate Openeye Name: 1-adamantylmethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 1-adamantylmethyl ester Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO2/c19-16-3-1-15(2-4-16)17(20)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2