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

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; (E)-octadec-2-enoic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; (E)-octadec-2-enoic acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; (E)-2-octadecenoic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; (E)-octadec-2-enoic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; (E)-octadec-2-enoic acid Formula: C31H55NO5 MolecularWeight: 521.7721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O

InChI

InChI=1S/C18H34O2.C13H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h16-17H,2-15H2,1H3,(H,19,20);4-6,12,14-17H,7-8H2,1-3H3/b17-16+;