1-adamantylmethyl 3-bromanylbenzoate

Systemtic Name: 1-adamantylmethyl 3-bromanylbenzoate Openeye Name: 1-adamantylmethyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 3-bromobenzoate Traditional Name: 3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

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