tributylazanium; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: tributylazanium; 3,4,5-tris(oxidanyl)benzoate Openeye Name: tributylammonium; 3,4,5-trihydroxybenzoate CAS Name: tributylammonium; 3,4,5-trihydroxybenzoate IUPAC Name: tributylazanium; 3,4,5-trihydroxybenzoate Traditional Name: tributylammonium; 3,4,5-trihydroxybenzoate Formula: C19H33NO5 MolecularWeight: 355.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C12H27N.C7H6O5/c1-4-7-10-13(11-8-5-2)12-9-6-3;8-4-1-3(7(11)12)2-5(9)6(4)10/h4-12H2,1-3H3;1-2,8-10H,(H,11,12)