1-adamantyl benzoate

Systemtic Name: 1-adamantyl benzoate Openeye Name: 1-adamantyl benzoate CAS Name: benzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl benzoate Traditional Name: benzoic acid 1-adamantyl ester Formula: C17H20O2 MolecularWeight: 256.3395

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H20O2/c18-16(15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2