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4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; dodecanoic acid

4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; dodecanoic acid

Systemtic Name:4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; dodecanoic acid
Openeye Name:4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; dodecanoic acid
CAS Name:4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; dodecanoic acid
IUPAC Name:4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; dodecanoic acid
Traditional Name:4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; lauric acid
Formula: C25H45NO5
MolecularWeight: 439.6285
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O


Isomeric SMILES

CCCCCCCCCCCC(=O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O


InChI

InChI=1S/C13H21NO3.C12H24O2/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-6,12,14-17H,7-8H2,1-3H3;2-11H2,1H3,(H,13,14)


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