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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O6S2.2C12H27N/c14-10-3-1-8(12(6-10)22(16,17)18)5-9-2-4-11(15)7-13(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