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

Systemtic Name: 5-azanyl-2-[(4-azanyl-2-sulfonato-phenyl)methyl]benzenesulfonate; tripentylazanium Openeye Name: 5-amino-2-[(4-amino-2-sulfonato-phenyl)methyl]benzenesulfonate; tripentylammonium CAS Name: 5-amino-2-[(4-amino-2-sulfonatophenyl)methyl]benzenesulfonate; tripentylammonium IUPAC Name: 5-amino-2-[(4-amino-2-sulfonatophenyl)methyl]benzenesulfonate; tripentylazanium Traditional Name: 5-amino-2-(4-amino-2-sulfonato-benzyl)besylate; triamylammonium Formula: C43H80N4O6S2 MolecularWeight: 813.2485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H33N.C13H14N2O6S2/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;14-10-3-1-8(12(6-10)22(16,17)18)5-9-2-4-11(15)7-13(9)23(19,20)21/h2*4-15H2,1-3H3;1-4,6-7H,5,14-15H2,(H,16,17,18)(H,19,20,21)