calcium 3-(hydroxymethyl)-2-methyl-2-oxidanyl-nonadecanoate

Systemtic Name: calcium 3-(hydroxymethyl)-2-methyl-2-oxidanyl-nonadecanoate Openeye Name: calcium 2-hydroxy-3-(hydroxymethyl)-2-methyl-nonadecanoate CAS Name: calcium 2-hydroxy-3-(hydroxymethyl)-2-methylnonadecanoate IUPAC Name: calcium 2-hydroxy-3-(hydroxymethyl)-2-methylnonadecanoate Traditional Name: calcium 2-hydroxy-2-methyl-3-methylol-nonadecanoate Formula: C42H82CaO8 MolecularWeight: 755.17368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C21H42O4.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18-22)21(2,25)20(23)24;/h2*19,22,25H,3-18H2,1-2H3,(H,23,24);/q;;+2/p-2