(2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-oxidanyl-methyl]cycloheptan-1-one

Systemtic Name: (2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-oxidanyl-methyl]cycloheptan-1-one Openeye Name: (2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-hydroxy-methyl]cycloheptanone CAS Name: (2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-1-cycloheptanone IUPAC Name: (2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]cycloheptan-1-one Traditional Name: (2S)-2-[(R)-[3,5-bis(trifluoromethyl)phenyl]-hydroxy-methyl]cycloheptanone Formula: C16H16F6O2 MolecularWeight: 354.287459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)C(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

C1CC[C@H](C(=O)CC1)[C@H](C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C16H16F6O2/c17-15(18,19)10-6-9(7-11(8-10)16(20,21)22)14(24)12-4-2-1-3-5-13(12)23/h6-8,12,14,24H,1-5H2/t12-,14+/m1/s1