methylbenzene; 2-methylpropyl 2-sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)COC(=O)CS

Isomeric SMILES

CC1=CC=CC=C1.CC(C)COC(=O)CS

InChI

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