(3-propan-2-ylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3-propan-2-ylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (3-isopropylphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid m-cumenyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-11(2)13-5-4-6-15(9-13)22-23(20,21)16-10-14(17(18)19)8-7-12(16)3/h4-11H,1-3H3