[3-[(phenylmethyl)amino]phenyl]-sulfo-sulfamic acid

Systemtic Name: [3-[(phenylmethyl)amino]phenyl]-sulfo-sulfamic acid Openeye Name: [3-(benzylamino)phenyl]-sulfo-sulfamic acid CAS Name: [3-[(phenylmethyl)amino]phenyl]-sulfosulfamic acid IUPAC Name: [3-(benzylamino)phenyl]-sulfosulfamic acid Traditional Name: [3-(benzylamino)phenyl]-sulfo-sulfamic acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=CC=C2)N(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=CC=C2)N(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O6S2/c16-22(17,18)15(23(19,20)21)13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,16,17,18)(H,19,20,21)