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

Systemtic Name: sodium 1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonic acid Openeye Name: sodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid CAS Name: sodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid IUPAC Name: sodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid Traditional Name: sodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonic acid Formula: C15H18N2NaO8S3+ MolecularWeight: 473.49679

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C15H18N2O8S3.Na/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);/q;+1