4-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-homoveratryl-3-nitro-5-sulfamoyl-benzoic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O8S/c1-26-14-6-4-10(7-15(14)27-2)3-5-12-13(19(22)23)8-11(17(20)21)9-16(12)28(18,24)25/h4,6-9H,3,5H2,1-2H3,(H,20,21)(H2,18,24,25)