(3S,4R)-3-phenylsulfanyldeca-1,5-diyn-4-ol

Systemtic Name: (3S,4R)-3-phenylsulfanyldeca-1,5-diyn-4-ol Openeye Name: (3S,4R)-3-phenylsulfanyldeca-1,5-diyn-4-ol CAS Name: (3S,4R)-3-(phenylthio)-4-deca-1,5-diynol IUPAC Name: (3S,4R)-3-phenylsulfanyldeca-1,5-diyn-4-ol Traditional Name: (3S,4R)-3-(phenylthio)deca-1,5-diyn-4-ol Formula: C16H18OS MolecularWeight: 258.37852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(C#C)SC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18OS/c1-3-5-6-10-13-15(17)16(4-2)18-14-11-8-7-9-12-14/h2,7-9,11-12,15-17H,3,5-6H2,1H3/t15-,16+/m1/s1