(2-azanyl-3-nitroso-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-azanyl-3-nitroso-propyl) 4-methylbenzenesulfonate Openeye Name: (2-amino-3-nitroso-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-amino-3-nitrosopropyl) ester IUPAC Name: (2-amino-3-nitrosopropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-3-nitroso-propyl) ester Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=O)N

InChI

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