(E)-2-azanyloctadec-7-ene-1,3-diol; butylboronic acid

Systemtic Name: (E)-2-azanyloctadec-7-ene-1,3-diol; butylboronic acid Openeye Name: (E)-2-aminooctadec-7-ene-1,3-diol; butylboronic acid CAS Name: (E)-2-amino-7-octadecene-1,3-diol; butylboronic acid IUPAC Name: (E)-2-aminooctadec-7-ene-1,3-diol; butylboronic acid Traditional Name: (E)-2-aminooctadec-7-ene-1,3-diol; butylboronic acid Formula: C22H48BNO4 MolecularWeight: 401.43182

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCC)(O)O.CCCCCCCCCCC=CCCCC(C(CO)N)O

Isomeric SMILES

B(CCCC)(O)O.CCCCCCCCCC/C=C/CCCC(C(CO)N)O

InChI

InChI=1S/C18H37NO2.C4H11BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;1-2-3-4-5(6)7/h11-12,17-18,20-21H,2-10,13-16,19H2,1H3;6-7H,2-4H2,1H3/b12-11+;