(4-ethoxyphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-ethoxyphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-ethoxyphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid p-phenetyl ester Formula: C15H15NO6S MolecularWeight: 337.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15NO6S/c1-3-21-13-6-8-14(9-7-13)22-23(19,20)15-10-12(16(17)18)5-4-11(15)2/h4-10H,3H2,1-2H3