6-[3-(2-azanylethyl)-2,4-bis(oxidanyl)phenyl]hexanal

Systemtic Name: 6-[3-(2-azanylethyl)-2,4-bis(oxidanyl)phenyl]hexanal Openeye Name: 6-[3-(2-aminoethyl)-2,4-dihydroxy-phenyl]hexanal CAS Name: 6-[3-(2-aminoethyl)-2,4-dihydroxyphenyl]hexanal IUPAC Name: 6-[3-(2-aminoethyl)-2,4-dihydroxyphenyl]hexanal Traditional Name: 6-[3-(2-aminoethyl)-2,4-dihydroxy-phenyl]hexanal Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCCCC=O)O)CCN)O

Isomeric SMILES

C1=CC(=C(C(=C1CCCCCC=O)O)CCN)O

InChI

InChI=1S/C14H21NO3/c15-9-8-12-13(17)7-6-11(14(12)18)5-3-1-2-4-10-16/h6-7,10,17-18H,1-5,8-9,15H2