3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-bis(hydroxymethyl)phenol

Systemtic Name: 3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-bis(hydroxymethyl)phenol Openeye Name: 3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-bis(hydroxymethyl)phenol CAS Name: 3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-bis(hydroxymethyl)phenol IUPAC Name: 3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-bis(hydroxymethyl)phenol Traditional Name: 3-(aminomethyl)-6-(6-heptoxyhexyl)-2,4-dimethylol-phenol Formula: C22H39NO4 MolecularWeight: 381.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCCCCCC1=C(C(=C(C(=C1)CO)CN)CO)O

Isomeric SMILES

CCCCCCCOCCCCCCC1=C(C(=C(C(=C1)CO)CN)CO)O

InChI

InChI=1S/C22H39NO4/c1-2-3-4-6-9-12-27-13-10-7-5-8-11-18-14-19(16-24)20(15-23)21(17-25)22(18)26/h14,24-26H,2-13,15-17,23H2,1H3