1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonic acid

Systemtic Name: 1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonic acid Openeye Name: 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid CAS Name: 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid IUPAC Name: 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid Traditional Name: 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid Formula: C15H18N2O8S3 MolecularWeight: 450.50702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H18N2O8S3/c16-26(18,19)13-8-6-12(7-9-13)17-15(28(23,24)25)10-14(27(20,21)22)11-4-2-1-3-5-11/h1-9,14-15,17H,10H2,(H2,16,18,19)(H,20,21,22)(H,23,24,25)