4-[[(4-hydroxyphenyl)-[(4-sulfonatophenyl)amino]methyl]amino]benzenesulfonate

Systemtic Name: 4-[[(4-hydroxyphenyl)-[(4-sulfonatophenyl)amino]methyl]amino]benzenesulfonate Openeye Name: 4-[[(4-hydroxyphenyl)-(4-sulfonatoanilino)methyl]amino]benzenesulfonate CAS Name: 4-[[(4-hydroxyphenyl)-(4-sulfonatoanilino)methyl]amino]benzenesulfonate IUPAC Name: 4-[[(4-hydroxyphenyl)-(4-sulfonatoanilino)methyl]amino]benzenesulfonate Traditional Name: 4-[[(4-hydroxyphenyl)-(4-sulfonatoanilino)methyl]amino]besylate Formula: C19H16N2O7S2-2 MolecularWeight: 448.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(NC2=CC=C(C=C2)S(=O)(=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(NC2=CC=C(C=C2)S(=O)(=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)[O-])O

InChI

InChI=1S/C19H18N2O7S2/c22-16-7-1-13(2-8-16)19(20-14-3-9-17(10-4-14)29(23,24)25)21-15-5-11-18(12-6-15)30(26,27)28/h1-12,19-22H,(H,23,24,25)(H,26,27,28)/p-2