2-cyanoethyl 3-nitrobenzenesulfonate

Systemtic Name: 2-cyanoethyl 3-nitrobenzenesulfonate Openeye Name: 2-cyanoethyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid 2-cyanoethyl ester Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O5S/c10-5-2-6-16-17(14,15)9-4-1-3-8(7-9)11(12)13/h1,3-4,7H,2,6H2