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

Systemtic Name: (E,2R,5R)-5-phenylsulfanyltridec-3-en-2-ol Openeye Name: (E,2R,5R)-5-phenylsulfanyltridec-3-en-2-ol CAS Name: (E,2R,5R)-5-(phenylthio)-3-tridecen-2-ol IUPAC Name: (E,2R,5R)-5-phenylsulfanyltridec-3-en-2-ol Traditional Name: (E,2R,5R)-5-(phenylthio)tridec-3-en-2-ol Formula: C19H30OS MolecularWeight: 306.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30OS/c1-3-4-5-6-7-9-14-19(16-15-17(2)20)21-18-12-10-8-11-13-18/h8,10-13,15-17,19-20H,3-7,9,14H2,1-2H3/b16-15+/t17-,19-/m1/s1