3,5-bis(azanyl)-2-hexyl-benzoate

Systemtic Name: 3,5-bis(azanyl)-2-hexyl-benzoate Openeye Name: 3,5-diamino-2-hexyl-benzoate CAS Name: 3,5-diamino-2-hexylbenzoate IUPAC Name: 3,5-diamino-2-hexylbenzoate Traditional Name: 3,5-diamino-2-hexyl-benzoate Formula: C13H19N2O2- MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1C(=O)[O-])N)N

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1C(=O)[O-])N)N

InChI

InChI=1S/C13H20N2O2/c1-2-3-4-5-6-10-11(13(16)17)7-9(14)8-12(10)15/h7-8H,2-6,14-15H2,1H3,(H,16,17)/p-1