(2-nitrophenyl) 4-methoxy-3-methyl-benzenesulfonate

Systemtic Name: (2-nitrophenyl) 4-methoxy-3-methyl-benzenesulfonate Openeye Name: (2-nitrophenyl) 4-methoxy-3-methyl-benzenesulfonate CAS Name: 4-methoxy-3-methylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-methoxy-3-methylbenzenesulfonate Traditional Name: 4-methoxy-3-methyl-benzenesulfonic acid (2-nitrophenyl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S/c1-10-9-11(7-8-13(10)20-2)22(18,19)21-14-6-4-3-5-12(14)15(16)17/h3-9H,1-2H3