4-[(4-azanyl-3-oxidanyl-phenyl)methyl-sulfino-amino]benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-3-oxidanyl-phenyl)methyl-sulfino-amino]benzenesulfonic acid Openeye Name: 4-[(4-amino-3-hydroxy-phenyl)methyl-sulfino-amino]benzenesulfonic acid CAS Name: 4-[(4-amino-3-hydroxyphenyl)methyl-sulfinoamino]benzenesulfonic acid IUPAC Name: 4-[(4-amino-3-hydroxyphenyl)methyl-sulfinoamino]benzenesulfonic acid Traditional Name: 4-[(4-amino-3-hydroxy-benzyl)-sulfino-amino]besylic acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CC2=CC(=C(C=C2)N)O)S(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N(CC2=CC(=C(C=C2)N)O)S(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O6S2/c14-12-6-1-9(7-13(12)16)8-15(22(17)18)10-2-4-11(5-3-10)23(19,20)21/h1-7,16H,8,14H2,(H,17,18)(H,19,20,21)