calcium; 4-methyl-1,2-dioxolane; octadecanoate

Systemtic Name: calcium; 4-methyl-1,2-dioxolane; octadecanoate Openeye Name: calcium; 4-methyldioxolane; octadecanoate CAS Name: calcium; 4-methyldioxolane; octadecanoate IUPAC Name: calcium; 4-methyldioxolane; octadecanoate Traditional Name: calcium; 4-methyldioxolane; stearate Formula: C22H43CaO4+ MolecularWeight: 411.65242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1COOC1.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1COOC1.[Ca+2]

InChI

InChI=1S/C18H36O2.C4H8O2.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-2-5-6-3-4;/h2-17H2,1H3,(H,19,20);4H,2-3H2,1H3;/q;;+2/p-1