8-[[2,5-bis(oxidanyl)phenyl]carbonylamino]octanoic acid

Systemtic Name: 8-[[2,5-bis(oxidanyl)phenyl]carbonylamino]octanoic acid Openeye Name: 8-[(2,5-dihydroxybenzoyl)amino]octanoic acid CAS Name: 8-[[(2,5-dihydroxyphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2,5-dihydroxybenzoyl)amino]octanoic acid Traditional Name: 8-(gentisoylamino)caprylic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=O)NCCCCCCCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1O)C(=O)NCCCCCCCC(=O)O)O

InChI

InChI=1S/C15H21NO5/c17-11-7-8-13(18)12(10-11)15(21)16-9-5-3-1-2-4-6-14(19)20/h7-8,10,17-18H,1-6,9H2,(H,16,21)(H,19,20)