(2R,3S)-2-tert-butyl-3-(2-phenylethynyl)cyclohexan-1-one

Systemtic Name: (2R,3S)-2-tert-butyl-3-(2-phenylethynyl)cyclohexan-1-one Openeye Name: (2R,3S)-2-tert-butyl-3-(2-phenylethynyl)cyclohexanone CAS Name: (2R,3S)-2-tert-butyl-3-(2-phenylethynyl)-1-cyclohexanone IUPAC Name: (2R,3S)-2-tert-butyl-3-(2-phenylethynyl)cyclohexan-1-one Traditional Name: (2R,3S)-2-tert-butyl-3-(2-phenylethynyl)cyclohexanone Formula: C18H22O MolecularWeight: 254.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CCCC1=O)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]1[C@H](CCCC1=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C18H22O/c1-18(2,3)17-15(10-7-11-16(17)19)13-12-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-11H2,1-3H3/t15-,17+/m1/s1