calcium 9,10-bis(oxidanyl)octadecanoate

Systemtic Name: calcium 9,10-bis(oxidanyl)octadecanoate Openeye Name: calcium 9,10-dihydroxyoctadecanoate CAS Name: calcium 9,10-dihydroxyoctadecanoate IUPAC Name: calcium 9,10-dihydroxyoctadecanoate Traditional Name: calcium 9,10-dihydroxystearate Formula: C36H70CaO8 MolecularWeight: 671.0142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O4.Ca/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);/q;;+2/p-2