phenyl 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: phenyl 2-methyl-5-nitro-benzenesulfonate Openeye Name: phenyl 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid phenyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H11NO5S/c1-10-7-8-11(14(15)16)9-13(10)20(17,18)19-12-5-3-2-4-6-12/h2-9H,1H3