5-[[2,5-bis(oxidanyl)phenyl]methyl-hexyl-amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2,5-bis(oxidanyl)phenyl]methyl-hexyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(2,5-dihydroxyphenyl)methyl-hexyl-amino]-2-hydroxy-benzoic acid CAS Name: 5-[(2,5-dihydroxyphenyl)methyl-hexylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[(2,5-dihydroxyphenyl)methyl-hexylamino]-2-hydroxybenzoic acid Traditional Name: 5-[(2,5-dihydroxybenzyl)-hexyl-amino]-2-hydroxy-benzoic acid Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=C(C=CC(=C1)O)O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CCCCCCN(CC1=C(C=CC(=C1)O)O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H25NO5/c1-2-3-4-5-10-21(13-14-11-16(22)7-9-18(14)23)15-6-8-19(24)17(12-15)20(25)26/h6-9,11-12,22-24H,2-5,10,13H2,1H3,(H,25,26)