2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)methyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-amino-5-[(4-amino-3-sulfo-phenyl)methyl]benzenesulfonic acid CAS Name: 2-amino-5-[(4-amino-3-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(4-amino-3-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: 2-amino-5-(4-amino-3-sulfo-benzyl)besylic acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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