2-azanyl-5-[(4-azanyl-3-sulfonato-phenyl)methyl]benzenesulfonate; triethylazanium

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-sulfonato-phenyl)methyl]benzenesulfonate; triethylazanium Openeye Name: 2-amino-5-[(4-amino-3-sulfonato-phenyl)methyl]benzenesulfonate; triethylammonium CAS Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)methyl]benzenesulfonate; triethylammonium IUPAC Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)methyl]benzenesulfonate; triethylazanium Traditional Name: 2-amino-5-(4-amino-3-sulfonato-benzyl)besylate; triethylammonium Formula: C25H44N4O6S2 MolecularWeight: 560.77006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

InChI

InChI=1S/C13H14N2O6S2.2C6H15N/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;2*1-4-7(5-2)6-3/h1-4,6-7H,5,14-15H2,(H,16,17,18)(H,19,20,21);2*4-6H2,1-3H3