(E)-2,7-dimethyl-3-propylsulfanyl-oct-3-en-5-yne-2,7-diol

Systemtic Name: (E)-2,7-dimethyl-3-propylsulfanyl-oct-3-en-5-yne-2,7-diol Openeye Name: (E)-2,7-dimethyl-3-propylsulfanyl-oct-3-en-5-yne-2,7-diol CAS Name: (E)-2,7-dimethyl-3-(propylthio)oct-3-en-5-yne-2,7-diol IUPAC Name: (E)-2,7-dimethyl-3-propylsulfanyloct-3-en-5-yne-2,7-diol Traditional Name: (E)-2,7-dimethyl-3-(propylthio)oct-3-en-5-yne-2,7-diol Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=CC#CC(C)(C)O)C(C)(C)O

Isomeric SMILES

CCCS/C(=C/C#CC(C)(C)O)/C(C)(C)O

InChI

InChI=1S/C13H22O2S/c1-6-10-16-11(13(4,5)15)8-7-9-12(2,3)14/h8,14-15H,6,10H2,1-5H3/b11-8+