5-ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one

Systemtic Name: 5-ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one Openeye Name: 5-ethoxy-2,2-dimethyl-7-phenylsulfanyl-hept-6-yn-3-one CAS Name: 5-ethoxy-2,2-dimethyl-7-(phenylthio)-6-heptyn-3-one IUPAC Name: 5-ethoxy-2,2-dimethyl-7-phenylsulfanylhept-6-yn-3-one Traditional Name: 5-ethoxy-2,2-dimethyl-7-(phenylthio)hept-6-yn-3-one Formula: C17H22O2S MolecularWeight: 290.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)C(C)(C)C)C#CSC1=CC=CC=C1

Isomeric SMILES

CCOC(CC(=O)C(C)(C)C)C#CSC1=CC=CC=C1

InChI

InChI=1S/C17H22O2S/c1-5-19-14(13-16(18)17(2,3)4)11-12-20-15-9-7-6-8-10-15/h6-10,14H,5,13H2,1-4H3