2-nitroprop-2-enyl 4-methylbenzenesulfonate

Systemtic Name: 2-nitroprop-2-enyl 4-methylbenzenesulfonate Openeye Name: 2-nitroallyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-nitroprop-2-enyl ester IUPAC Name: 2-nitroprop-2-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-nitroallyl ester Formula: C10H11NO5S MolecularWeight: 257.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=C)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO5S/c1-8-3-5-10(6-4-8)17(14,15)16-7-9(2)11(12)13/h3-6H,2,7H2,1H3