3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[methyl(nitroso)amino]propyl ester IUPAC Name: 3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[methyl(nitroso)amino]propyl ester Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)N=O

InChI

InChI=1S/C11H16N2O4S/c1-10-4-6-11(7-5-10)18(15,16)17-9-3-8-13(2)12-14/h4-7H,3,8-9H2,1-2H3