2,4-bis(azanyl)benzenesulfonate; tributylazanium

Systemtic Name: 2,4-bis(azanyl)benzenesulfonate; tributylazanium Openeye Name: 2,4-diaminobenzenesulfonate; tributylammonium CAS Name: 2,4-diaminobenzenesulfonate; tributylammonium IUPAC Name: 2,4-diaminobenzenesulfonate; tributylazanium Traditional Name: 2,4-diaminobesylate; tributylammonium Formula: C18H35N3O3S MolecularWeight: 373.5538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N.C6H8N2O3S/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-4-1-2-6(5(8)3-4)12(9,10)11/h4-12H2,1-3H3;1-3H,7-8H2,(H,9,10,11)