ethyl sulfate; methylbenzene

Systemtic Name: ethyl sulfate; methylbenzene Openeye Name: ethyl sulfate; toluene CAS Name: ethyl sulfate; toluene IUPAC Name: ethyl sulfate; toluene Traditional Name: ethyl sulfate; toluene Formula: C9H13O4S- MolecularWeight: 217.26212

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CC1=CC=CC=C1

Isomeric SMILES

CCOS(=O)(=O)[O-].CC1=CC=CC=C1

InChI

InChI=1S/C7H8.C2H6O4S/c1-7-5-3-2-4-6-7;1-2-6-7(3,4)5/h2-6H,1H3;2H2,1H3,(H,3,4,5)/p-1