7-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]octanoate

Systemtic Name: 7-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]octanoate Openeye Name: 7-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]octanoate CAS Name: 7-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonio]octanoate IUPAC Name: 7-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]octanoate Traditional Name: 7-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]caprylate Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO5/c1-11(5-3-2-4-6-16(21)22)17-10-15(20)12-7-8-13(18)14(19)9-12/h7-9,11,15,17-20H,2-6,10H2,1H3,(H,21,22)