[(1R,3S)-5-oxidanyl-2-adamantyl] benzoate

Systemtic Name: [(1R,3S)-5-oxidanyl-2-adamantyl] benzoate Openeye Name: [(1R,3S)-5-hydroxy-2-adamantyl] benzoate CAS Name: benzoic acid [(1R,3S)-5-hydroxy-2-adamantyl] ester IUPAC Name: [(1R,3S)-5-hydroxy-2-adamantyl] benzoate Traditional Name: benzoic acid [(1R,3S)-5-hydroxy-2-adamantyl] ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2OC(=O)C4=CC=CC=C4)CC1C3)O

InChI

InChI=1S/C17H20O3/c18-16(12-4-2-1-3-5-12)20-15-13-6-11-7-14(15)10-17(19,8-11)9-13/h1-5,11,13-15,19H,6-10H2/t11?,13-,14+,15?,17?