calcium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoate

Systemtic Name: calcium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoate Openeye Name: calcium 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate CAS Name: calcium 2-[methyl-[(Z)-1-oxooctadec-9-enyl]amino]acetate IUPAC Name: calcium 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate Traditional Name: calcium 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate Formula: C21H38CaNO3+ MolecularWeight: 392.60932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/C21H39NO3.Ca/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+2/p-1/b11-10-;