methylsulfanyl 2-methylsulfanylethanoate; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: methylsulfanyl 2-methylsulfanylethanoate; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: methylsulfanyl 2-methylsulfanylacetate; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 2-(methylthio)acetic acid (methylthio) ester; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: methylsulfanyl 2-methylsulfanylacetate; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 2-(methylthio)acetic acid (methylthio) ester; 3-octylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C18H28O2S2 MolecularWeight: 340.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C1C=C2.CSCC(=O)OSC

Isomeric SMILES

CCCCCCCCC1=CC2=C1C=C2.CSCC(=O)OSC

InChI

InChI=1S/C14H20.C4H8O2S2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14(12)13;1-7-3-4(5)6-8-2/h9-11H,2-8H2,1H3;3H2,1-2H3