11-methoxy-5-methylidene-1-phenylsulfanyl-undeca-2,6-diyn-4-ol

Systemtic Name: 11-methoxy-5-methylidene-1-phenylsulfanyl-undeca-2,6-diyn-4-ol Openeye Name: 11-methoxy-5-methylene-1-phenylsulfanyl-undeca-2,6-diyn-4-ol CAS Name: 11-methoxy-5-methylene-1-(phenylthio)-4-undeca-2,6-diynol IUPAC Name: 11-methoxy-5-methylidene-1-phenylsulfanylundeca-2,6-diyn-4-ol Traditional Name: 11-methoxy-5-methylene-1-(phenylthio)undeca-2,6-diyn-4-ol Formula: C19H22O2S MolecularWeight: 314.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=C)C(C#CCSC1=CC=CC=C1)O

Isomeric SMILES

COCCCCC#CC(=C)C(C#CCSC1=CC=CC=C1)O

InChI

InChI=1S/C19H22O2S/c1-17(11-6-3-4-9-15-21-2)19(20)14-10-16-22-18-12-7-5-8-13-18/h5,7-8,12-13,19-20H,1,3-4,9,15-16H2,2H3