5-azanyl-2-(4-azanylphenoxy)benzenesulfonate; tributylazanium

Systemtic Name: 5-azanyl-2-(4-azanylphenoxy)benzenesulfonate; tributylazanium Openeye Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; tributylammonium CAS Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; tributylammonium IUPAC Name: 5-amino-2-(4-aminophenoxy)benzenesulfonate; tributylazanium Traditional Name: 5-amino-2-(4-aminophenoxy)besylate; tributylammonium Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1=CC(=CC=C1N)OC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1=CC(=CC=C1N)OC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O4S.C12H27N/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17;1-4-7-10-13(11-8-5-2)12-9-6-3/h1-7H,13-14H2,(H,15,16,17);4-12H2,1-3H3