(1R,3S,6S)-6-butyl-3-phenyl-cyclohex-4-ene-1,3-diol

Systemtic Name: (1R,3S,6S)-6-butyl-3-phenyl-cyclohex-4-ene-1,3-diol Openeye Name: (1R,3S,6S)-6-butyl-3-phenyl-cyclohex-4-ene-1,3-diol CAS Name: (1R,3S,6S)-6-butyl-3-phenylcyclohex-4-ene-1,3-diol IUPAC Name: (1R,3S,6S)-6-butyl-3-phenylcyclohex-4-ene-1,3-diol Traditional Name: (1R,3S,6S)-6-butyl-3-phenyl-cyclohex-4-ene-1,3-diol Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(CC1O)(C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2/c1-2-3-7-13-10-11-16(18,12-15(13)17)14-8-5-4-6-9-14/h4-6,8-11,13,15,17-18H,2-3,7,12H2,1H3/t13-,15+,16+/m0/s1