4-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]benzoic acid

Systemtic Name: 4-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]benzoic acid Openeye Name: 4-(2,3,4,5,6-pentahydroxyhexylamino)benzoic acid CAS Name: 4-(2,3,4,5,6-pentahydroxyhexylamino)benzoic acid IUPAC Name: 4-(2,3,4,5,6-pentahydroxyhexylamino)benzoic acid Traditional Name: 4-(2,3,4,5,6-pentahydroxyhexylamino)benzoic acid Formula: C13H19NO7 MolecularWeight: 301.29246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C13H19NO7/c15-6-10(17)12(19)11(18)9(16)5-14-8-3-1-7(2-4-8)13(20)21/h1-4,9-12,14-19H,5-6H2,(H,20,21)