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: C42H76CaN2O6 MolecularWeight: 745.14064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H39NO3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h2*10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;;+2/p-2/b2*11-10-;