(E)-2-azanyloctadec-4-ene-1,3-diol; sulfuric acid

Systemtic Name: (E)-2-azanyloctadec-4-ene-1,3-diol; sulfuric acid Openeye Name: (E)-2-aminooctadec-4-ene-1,3-diol; sulfuric acid CAS Name: (E)-2-amino-4-octadecene-1,3-diol; sulfuric acid IUPAC Name: (E)-2-aminooctadec-4-ene-1,3-diol; sulfuric acid Traditional Name: (E)-2-aminooctadec-4-ene-1,3-diol; sulfuric acid Formula: C18H39NO6S MolecularWeight: 397.57036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N)O.OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)N)O.OS(=O)(=O)O

InChI

InChI=1S/C18H37NO2.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;1-5(2,3)4/h14-15,17-18,20-21H,2-13,16,19H2,1H3;(H2,1,2,3,4)/b15-14+;