ethyl 2-(4-oct-2-ynoxyphenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-oct-2-ynoxyphenyl)sulfanylethanoate Openeye Name: ethyl 2-(4-oct-2-ynoxyphenyl)sulfanylacetate CAS Name: 2-[(4-oct-2-ynoxyphenyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oct-2-ynoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-oct-2-ynoxyphenyl)thio]acetic acid ethyl ester Formula: C18H24O3S MolecularWeight: 320.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOC1=CC=C(C=C1)SCC(=O)OCC

Isomeric SMILES

CCCCCC#CCOC1=CC=C(C=C1)SCC(=O)OCC

InChI

InChI=1S/C18H24O3S/c1-3-5-6-7-8-9-14-21-16-10-12-17(13-11-16)22-15-18(19)20-4-2/h10-13H,3-7,14-15H2,1-2H3