5-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]hexanoate

Systemtic Name: 5-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]hexanoate Openeye Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]hexanoate CAS Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonio]hexanoate IUPAC Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexanoate Traditional Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]hexanoate Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)[O-])[NH2+]CC(C1=CC(=C(C=C1)O)O)O

Isomeric SMILES

CC(CCCC(=O)[O-])[NH2+]CC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C14H21NO5/c1-9(3-2-4-14(19)20)15-8-13(18)10-5-6-11(16)12(17)7-10/h5-7,9,13,15-18H,2-4,8H2,1H3,(H,19,20)