(4-azanyl-3-nitro-phenyl) 4-(2-methylpropoxy)benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-(2-methylpropoxy)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-isobutoxybenzenesulfonate CAS Name: 4-(2-methylpropoxy)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-(2-methylpropoxy)benzenesulfonate Traditional Name: 4-isobutoxybenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-11(2)10-23-12-3-6-14(7-4-12)25(21,22)24-13-5-8-15(17)16(9-13)18(19)20/h3-9,11H,10,17H2,1-2H3