4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(3,5-dimethylphenoxy)-3-nitro-5-sulfamoyl-benzoic acid Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C15H14N2O7S/c1-8-3-9(2)5-11(4-8)24-14-12(17(20)21)6-10(15(18)19)7-13(14)25(16,22)23/h3-7H,1-2H3,(H,18,19)(H2,16,22,23)