6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]heptanoate

Systemtic Name: 6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]heptanoate Openeye Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]heptanoate CAS Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonio]heptanoate IUPAC Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]heptanoate Traditional Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]enanthate Formula: C15H23NO5 MolecularWeight: 297.34682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO5/c1-10(4-2-3-5-15(20)21)16-9-14(19)11-6-7-12(17)13(18)8-11/h6-8,10,14,16-19H,2-5,9H2,1H3,(H,20,21)