6-[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]hexanoic acid Openeye Name: 6-[[(E)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]hexanoic acid CAS Name: 6-[[(E)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]hexanoic acid Traditional Name: 6-[[(E)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]hexanoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CNCCCCCC(=O)O)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C/NCCCCCC(=O)O)O

InChI

InChI=1S/C13H17NO4/c15-11-6-5-10(8-12(11)16)9-14-7-3-1-2-4-13(17)18/h5-6,8-9,14,16H,1-4,7H2,(H,17,18)/b10-9+