4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; (E)-octadec-9-enoic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; (E)-octadec-9-enoic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; (E)-octadec-9-enoic acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; (E)-9-octadecenoic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; (E)-octadec-9-enoic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; elaidic acid Formula: C31H55NO5 MolecularWeight: 521.7721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=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/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-6,12,14-17H,7-8H2,1-3H3/b10-9+;