5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate; tributylazanium

Systemtic Name: 5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate; tributylazanium Openeye Name: 5-amino-2-(4-amino-2-sulfonato-phenoxy)benzenesulfonate; tributylammonium CAS Name: 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate; tributylammonium IUPAC Name: 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate; tributylazanium Traditional Name: 5-amino-2-(4-amino-2-sulfonato-phenoxy)besylate; tributylammonium Formula: C36H66N4O7S2 MolecularWeight: 731.06184

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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-])OC2=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-])OC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O7S2.2C12H27N/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20;2*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);2*4-12H2,1-3H3