(2S,3S)-2-[(1S)-1-oxidanylpropyl]-3-phenyl-cycloheptan-1-one

Systemtic Name: (2S,3S)-2-[(1S)-1-oxidanylpropyl]-3-phenyl-cycloheptan-1-one Openeye Name: (2S,3S)-2-[(1S)-1-hydroxypropyl]-3-phenyl-cycloheptanone CAS Name: (2S,3S)-2-[(1S)-1-hydroxypropyl]-3-phenyl-1-cycloheptanone IUPAC Name: (2S,3S)-2-[(1S)-1-hydroxypropyl]-3-phenylcycloheptan-1-one Traditional Name: (2S,3S)-2-[(1S)-1-hydroxypropyl]-3-phenyl-cycloheptanone Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(CCCCC1=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2/c1-2-14(17)16-13(10-6-7-11-15(16)18)12-8-4-3-5-9-12/h3-5,8-9,13-14,16-17H,2,6-7,10-11H2,1H3/t13-,14+,16+/m1/s1