4-[[(4-hydroxyphenyl)-[(4-sulfophenyl)amino]methyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(4-hydroxyphenyl)-[(4-sulfophenyl)amino]methyl]amino]benzenesulfonic acid Openeye Name: 4-[[(4-hydroxyphenyl)-(4-sulfoanilino)methyl]amino]benzenesulfonic acid CAS Name: 4-[[(4-hydroxyphenyl)-(4-sulfoanilino)methyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(4-hydroxyphenyl)-(4-sulfoanilino)methyl]amino]benzenesulfonic acid Traditional Name: 4-[[(4-hydroxyphenyl)-(4-sulfoanilino)methyl]amino]besylic acid Formula: C19H18N2O7S2 MolecularWeight: 450.48542

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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)