(2-methylsulfanyl-4-octyl-phenyl) 2-methylsulfanylethanoate

Systemtic Name: (2-methylsulfanyl-4-octyl-phenyl) 2-methylsulfanylethanoate Openeye Name: (2-methylsulfanyl-4-octyl-phenyl) 2-methylsulfanylacetate CAS Name: 2-(methylthio)acetic acid [2-(methylthio)-4-octylphenyl] ester IUPAC Name: (2-methylsulfanyl-4-octylphenyl) 2-methylsulfanylacetate Traditional Name: 2-(methylthio)acetic acid [2-(methylthio)-4-octyl-phenyl] ester Formula: C18H28O2S2 MolecularWeight: 340.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)CSC)SC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)CSC)SC

InChI

InChI=1S/C18H28O2S2/c1-4-5-6-7-8-9-10-15-11-12-16(17(13-15)22-3)20-18(19)14-21-2/h11-13H,4-10,14H2,1-3H3