6-[3-(aminomethyl)-6-hexyl-2,4-bis(hydroxymethyl)phenyl]hexanal

Systemtic Name: 6-[3-(aminomethyl)-6-hexyl-2,4-bis(hydroxymethyl)phenyl]hexanal Openeye Name: 6-[3-(aminomethyl)-6-hexyl-2,4-bis(hydroxymethyl)phenyl]hexanal CAS Name: 6-[3-(aminomethyl)-6-hexyl-2,4-bis(hydroxymethyl)phenyl]hexanal IUPAC Name: 6-[3-(aminomethyl)-6-hexyl-2,4-bis(hydroxymethyl)phenyl]hexanal Traditional Name: 6-[3-(aminomethyl)-6-hexyl-2,4-dimethylol-phenyl]hexanal Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C(=C1CCCCCC=O)CO)CN)CO

Isomeric SMILES

CCCCCCC1=CC(=C(C(=C1CCCCCC=O)CO)CN)CO

InChI

InChI=1S/C21H35NO3/c1-2-3-4-7-10-17-13-18(15-24)20(14-22)21(16-25)19(17)11-8-5-6-9-12-23/h12-13,24-25H,2-11,14-16,22H2,1H3