2-(3-methyl-1,2-diazirin-3-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3-methyl-1,2-diazirin-3-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3-methyldiazirin-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3-methyl-3-diazirinyl)ethyl ester IUPAC Name: 2-(3-methyldiazirin-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(3-methyldiazirin-3-yl)ethyl ester Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(N=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(N=N2)C

InChI

InChI=1S/C11H14N2O3S/c1-9-3-5-10(6-4-9)17(14,15)16-8-7-11(2)12-13-11/h3-6H,7-8H2,1-2H3