(E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol

Systemtic Name: (E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol Openeye Name: (E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol CAS Name: (E,2R,5R)-5-(phenylthio)-3-hepten-2-ol IUPAC Name: (E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol Traditional Name: (E,2R,5R)-5-(phenylthio)hept-3-en-2-ol Formula: C13H18OS MolecularWeight: 222.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)O)SC1=CC=CC=C1

Isomeric SMILES

CC[C@H](/C=C/[C@@H](C)O)SC1=CC=CC=C1

InChI

InChI=1S/C13H18OS/c1-3-12(10-9-11(2)14)15-13-7-5-4-6-8-13/h4-12,14H,3H2,1-2H3/b10-9+/t11-,12-/m1/s1