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

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-sulfonato-phenyl)methyl]benzenesulfonate; tributylazanium Openeye Name: 2-amino-5-[(4-amino-3-sulfonato-phenyl)methyl]benzenesulfonate; tributylammonium CAS Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)methyl]benzenesulfonate; tributylammonium IUPAC Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)methyl]benzenesulfonate; tributylazanium Traditional Name: 2-amino-5-(4-amino-3-sulfonato-benzyl)besylate; tributylammonium Formula: C37H68N4O6S2 MolecularWeight: 729.08902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6S2.2C12H27N/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*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-4,6-7H,5,14-15H2,(H,16,17,18)(H,19,20,21);2*4-12H2,1-3H3