3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid Openeye Name: 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid CAS Name: 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid IUPAC Name: 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid Traditional Name: 3-[[(3-sulfobenzyl)amino]methyl]besylic acid Formula: C14H15NO6S2 MolecularWeight: 357.402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CNCC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CNCC2=CC(=CC=C2)S(=O)(=O)O

InChI

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