[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] dodecanoate; octadecanoate

Systemtic Name: [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] dodecanoate; octadecanoate Openeye Name: [4-hydroxy-1,1-bis(hydroxymethyl)butyl] dodecanoate; octadecanoate CAS Name: dodecanoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester; octadecanoate IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] dodecanoate; octadecanoate Traditional Name: lauric acid (4-hydroxy-1,1-dimethylol-butyl) ester; stearate Formula: C36H71O7- MolecularWeight: 615.94474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)OC(CCCO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)OC(CCCO)(CO)CO

InChI

InChI=1S/C18H36O5.C18H36O2/c1-2-3-4-5-6-7-8-9-10-12-17(22)23-18(15-20,16-21)13-11-14-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h19-21H,2-16H2,1H3;2-17H2,1H3,(H,19,20)/p-1