[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] octadecanoate; 2-nonadecylpropanedioic acid

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] octadecanoate; 2-nonadecylpropanedioic acid Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] octadecanoate; 2-nonadecylpropanedioic acid CAS Name: 2-nonadecylpropanedioic acid; octadecanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate; 2-nonadecylpropanedioic acid Traditional Name: 2-nonadecylmalonic acid; stearic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C45H88O8 MolecularWeight: 757.17542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO

InChI

InChI=1S/C23H46O4.C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(2,19-24)20-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)24)22(25)26/h24-25H,3-21H2,1-2H3;20H,2-19H2,1H3,(H,23,24)(H,25,26)