2-methylbenzenecarbonitrile sulfate

Systemtic Name: 2-methylbenzenecarbonitrile sulfate Openeye Name: 2-methylbenzonitrile sulfate CAS Name: 2-methylbenzonitrile sulfate IUPAC Name: 2-methylbenzonitrile sulfate Traditional Name: 2-methylbenzonitrile sulfate Formula: C8H7NO4S-2 MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C#N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H7N.H2O4S/c1-7-4-2-3-5-8(7)6-9;1-5(2,3)4/h2-5H,1H3;(H2,1,2,3,4)/p-2