(E,3S)-1-phenylsulfanylhept-5-en-3-ol

Systemtic Name: (E,3S)-1-phenylsulfanylhept-5-en-3-ol Openeye Name: (E,3S)-1-phenylsulfanylhept-5-en-3-ol CAS Name: (E,3S)-1-(phenylthio)-5-hepten-3-ol IUPAC Name: (E,3S)-1-phenylsulfanylhept-5-en-3-ol Traditional Name: (E,3S)-1-(phenylthio)hept-5-en-3-ol Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CCSC1=CC=CC=C1)O

Isomeric SMILES

C/C=C/C[C@@H](CCSC1=CC=CC=C1)O

InChI

InChI=1S/C13H18OS/c1-2-3-7-12(14)10-11-15-13-8-5-4-6-9-13/h2-6,8-9,12,14H,7,10-11H2,1H3/b3-2+/t12-/m0/s1