(2R,3S)-2-methyl-3-oxidanyl-2-(phenylmethoxymethyl)cycloheptan-1-one

Systemtic Name: (2R,3S)-2-methyl-3-oxidanyl-2-(phenylmethoxymethyl)cycloheptan-1-one Openeye Name: (2R,3S)-2-(benzyloxymethyl)-3-hydroxy-2-methyl-cycloheptanone CAS Name: (2R,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)-1-cycloheptanone IUPAC Name: (2R,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cycloheptan-1-one Traditional Name: (2R,3S)-2-(benzoxymethyl)-3-hydroxy-2-methyl-cycloheptanone Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCCC1=O)O)COCC2=CC=CC=C2

Isomeric SMILES

C[C@]1([C@H](CCCCC1=O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C16H22O3/c1-16(14(17)9-5-6-10-15(16)18)12-19-11-13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-12H2,1H3/t14-,16+/m0/s1