butyl 2-sulfanylethanoate; methylbenzene

Systemtic Name: butyl 2-sulfanylethanoate; methylbenzene Openeye Name: butyl 2-sulfanylacetate; toluene CAS Name: 2-mercaptoacetic acid butyl ester; toluene IUPAC Name: butyl 2-sulfanylacetate; toluene Traditional Name: 2-mercaptoacetic acid butyl ester; toluene Formula: C13H20O2S MolecularWeight: 240.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CS.CC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)CS.CC1=CC=CC=C1

InChI

InChI=1S/C7H8.C6H12O2S/c1-7-5-3-2-4-6-7;1-2-3-4-8-6(7)5-9/h2-6H,1H3;9H,2-5H2,1H3