2,4-bis(azanyl)benzenesulfonate; tripentylazanium

Systemtic Name: 2,4-bis(azanyl)benzenesulfonate; tripentylazanium Openeye Name: 2,4-diaminobenzenesulfonate; tripentylammonium CAS Name: 2,4-diaminobenzenesulfonate; tripentylammonium IUPAC Name: 2,4-diaminobenzenesulfonate; tripentylazanium Traditional Name: 2,4-diaminobesylate; triamylammonium Formula: C21H41N3O3S MolecularWeight: 415.63354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H33N.C6H8N2O3S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;7-4-1-2-6(5(8)3-4)12(9,10)11/h4-15H2,1-3H3;1-3H,7-8H2,(H,9,10,11)