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4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid

4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid

Systemtic Name:4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid
Openeye Name:4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid
CAS Name:4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid
IUPAC Name:4-[2-(tert-butylamino)ethyl]-2-(hydroxymethyl)phenol; sulfuric acid
Traditional Name:4-[2-(tert-butylamino)ethyl]-2-methylol-phenol; sulfuric acid
Formula: C26H44N2O8S
MolecularWeight: 544.70116
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCC1=CC(=C(C=C1)O)CO.CC(C)(C)NCCC1=CC(=C(C=C1)O)CO.OS(=O)(=O)O


Isomeric SMILES

CC(C)(C)NCCC1=CC(=C(C=C1)O)CO.CC(C)(C)NCCC1=CC(=C(C=C1)O)CO.OS(=O)(=O)O


InChI

InChI=1S/2C13H21NO2.H2O4S/c2*1-13(2,3)14-7-6-10-4-5-12(16)11(8-10)9-15;1-5(2,3)4/h2*4-5,8,14-16H,6-7,9H2,1-3H3;(H2,1,2,3,4)


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