(2S,6R)-2-oxidanyl-2-(2-phenylethynyl)-6-phenylmethoxy-cyclohexan-1-one

Systemtic Name: (2S,6R)-2-oxidanyl-2-(2-phenylethynyl)-6-phenylmethoxy-cyclohexan-1-one Openeye Name: (2S,6R)-6-benzyloxy-2-hydroxy-2-(2-phenylethynyl)cyclohexanone CAS Name: (2S,6R)-2-hydroxy-2-(2-phenylethynyl)-6-phenylmethoxy-1-cyclohexanone IUPAC Name: (2S,6R)-2-hydroxy-2-(2-phenylethynyl)-6-phenylmethoxycyclohexan-1-one Traditional Name: (2S,6R)-6-benzoxy-2-hydroxy-2-(2-phenylethynyl)cyclohexanone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)(C#CC2=CC=CC=C2)O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C(=O)[C@](C1)(C#CC2=CC=CC=C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20O3/c22-20-19(24-16-18-10-5-2-6-11-18)12-7-14-21(20,23)15-13-17-8-3-1-4-9-17/h1-6,8-11,19,23H,7,12,14,16H2/t19-,21+/m1/s1