(6-azanylhexanoylamino)methyl 2,6-bis(oxidanyl)benzoate hydrochloride

Systemtic Name: (6-azanylhexanoylamino)methyl 2,6-bis(oxidanyl)benzoate hydrochloride Openeye Name: (6-aminohexanoylamino)methyl 2,6-dihydroxybenzoate hydrochloride CAS Name: 2,6-dihydroxybenzoic acid [(6-amino-1-oxohexyl)amino]methyl ester hydrochloride IUPAC Name: (6-aminohexanoylamino)methyl 2,6-dihydroxybenzoate hydrochloride Traditional Name: 2,6-dihydroxybenzoic acid (6-aminohexanoylamino)methyl ester hydrochloride Formula: C14H21ClN2O5 MolecularWeight: 332.77994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)OCNC(=O)CCCCCN)O.Cl

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)OCNC(=O)CCCCCN)O.Cl

InChI

InChI=1S/C14H20N2O5.ClH/c15-8-3-1-2-7-12(19)16-9-21-14(20)13-10(17)5-4-6-11(13)18;/h4-6,17-18H,1-3,7-9,15H2,(H,16,19);1H