tridecan-4-yl 2-phenylsulfanylethanoate

Systemtic Name: tridecan-4-yl 2-phenylsulfanylethanoate Openeye Name: 1-propyldecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid tridecan-4-yl ester IUPAC Name: tridecan-4-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-propyldecyl ester Formula: C21H34O2S MolecularWeight: 350.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(CCC)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C21H34O2S/c1-3-5-6-7-8-9-11-15-19(14-4-2)23-21(22)18-24-20-16-12-10-13-17-20/h10,12-13,16-17,19H,3-9,11,14-15,18H2,1-2H3