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potassium; 3-[1,6-bis(azanyl)hexyl]benzoic acid; hydrogen sulfite

potassium; 3-[1,6-bis(azanyl)hexyl]benzoic acid; hydrogen sulfite

Systemtic Name:potassium; 3-[1,6-bis(azanyl)hexyl]benzoic acid; hydrogen sulfite
Openeye Name:potassium; 3-(1,6-diaminohexyl)benzoic acid; hydrogen sulfite
CAS Name:potassium; 3-(1,6-diaminohexyl)benzoic acid; hydrogen sulfite
IUPAC Name:potassium; 3-(1,6-diaminohexyl)benzoic acid; hydrogen sulfite
Traditional Name:potassium 3-(1,6-diaminohexyl)benzoic acid bisulfite
Formula: C13H21KN2O5S
MolecularWeight: 356.47954
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCCCCN)N)C(=O)O.OS(=O)[O-].[K+]


Isomeric SMILES

C1=CC(=CC(=C1)C(CCCCCN)N)C(=O)O.OS(=O)[O-].[K+]


InChI

InChI=1S/C13H20N2O2.K.H2O3S/c14-8-3-1-2-7-12(15)10-5-4-6-11(9-10)13(16)17;;1-4(2)3/h4-6,9,12H,1-3,7-8,14-15H2,(H,16,17);;(H2,1,2,3)/q;+1;/p-1


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