2-(nitrosomethylamino)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(nitrosomethylamino)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(nitrosomethylamino)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(nitrosomethylamino)ethyl ester IUPAC Name: 2-(nitrosomethylamino)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(nitrosomethylamino)ethyl ester Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNCN=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNCN=O

InChI

InChI=1S/C10H14N2O4S/c1-9-2-4-10(5-3-9)17(14,15)16-7-6-11-8-12-13/h2-5,11H,6-8H2,1H3