2-adamantyl 3-bromanylbenzoate

Systemtic Name: 2-adamantyl 3-bromanylbenzoate Openeye Name: 2-adamantyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 2-adamantyl ester Formula: C17H19BrO2 MolecularWeight: 335.23556

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H19BrO2/c18-15-3-1-2-12(9-15)17(19)20-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2