methylbenzene; trichloromethyl 2-sulfanylethanoate

Systemtic Name: methylbenzene; trichloromethyl 2-sulfanylethanoate Openeye Name: toluene; trichloromethyl 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid trichloromethyl ester; toluene IUPAC Name: toluene; trichloromethyl 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid trichloromethyl ester; toluene Formula: C10H11Cl3O2S MolecularWeight: 301.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C(C(=O)OC(Cl)(Cl)Cl)S

Isomeric SMILES

CC1=CC=CC=C1.C(C(=O)OC(Cl)(Cl)Cl)S

InChI

InChI=1S/C7H8.C3H3Cl3O2S/c1-7-5-3-2-4-6-7;4-3(5,6)8-2(7)1-9/h2-6H,1H3;9H,1H2