2,6-dimethylnon-1-en-3-yn-5-yl 2-phenylsulfanylethanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-phenylsulfanylethanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H24O2S MolecularWeight: 316.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C19H24O2S/c1-5-9-16(4)18(13-12-15(2)3)21-19(20)14-22-17-10-7-6-8-11-17/h6-8,10-11,16,18H,2,5,9,14H2,1,3-4H3