2-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid

Systemtic Name: 2-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid Openeye Name: 2-[(6-hydroxy-6-oxo-hexyl)amino]benzoic acid CAS Name: 2-[(6-hydroxy-6-oxohexyl)amino]benzoic acid IUPAC Name: 2-[(6-hydroxy-6-oxohexyl)amino]benzoic acid Traditional Name: 2-[(6-hydroxy-6-keto-hexyl)amino]benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NCCCCCC(=O)O

InChI

InChI=1S/C13H17NO4/c15-12(16)8-2-1-5-9-14-11-7-4-3-6-10(11)13(17)18/h3-4,6-7,14H,1-2,5,8-9H2,(H,15,16)(H,17,18)