2-[[(2-sulfophenyl)methylamino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[(2-sulfophenyl)methylamino]methyl]benzenesulfonic acid Openeye Name: 2-[[(2-sulfophenyl)methylamino]methyl]benzenesulfonic acid CAS Name: 2-[[(2-sulfophenyl)methylamino]methyl]benzenesulfonic acid IUPAC Name: 2-[[(2-sulfophenyl)methylamino]methyl]benzenesulfonic acid Traditional Name: 2-[[(2-sulfobenzyl)amino]methyl]besylic acid Formula: C14H15NO6S2 MolecularWeight: 357.402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNCC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H15NO6S2/c16-22(17,18)13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)23(19,20)21/h1-8,15H,9-10H2,(H,16,17,18)(H,19,20,21)