(1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-nitroso-2-pyrrolidinyl)methyl ester IUPAC Name: (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-nitrosopyrrolidin-2-yl)methyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN2N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN2N=O

InChI

InChI=1S/C12H16N2O4S/c1-10-4-6-12(7-5-10)19(16,17)18-9-11-3-2-8-14(11)13-15/h4-7,11H,2-3,8-9H2,1H3