3,4,5-trimethoxy-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 3,4,5-trimethoxy-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzoic acid Formula: C17H18N2O10S MolecularWeight: 442.39722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C(=C(C=C2C(=O)O)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C(=C(C=C2C(=O)O)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O10S/c1-26-9-5-6-13(11(7-9)19(22)23)30(24,25)18-14-10(17(20)21)8-12(27-2)15(28-3)16(14)29-4/h5-8,18H,1-4H3,(H,20,21)