dodecanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol

Systemtic Name: dodecanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol Openeye Name: dodecanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol CAS Name: dodecanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol IUPAC Name: dodecanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol Traditional Name: dodecanedioic acid; 2-ethyl-2-methylol-propane-1,3-diol; hexane-1,6-diol Formula: C24H50O9 MolecularWeight: 482.6484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C(CCCCCC(=O)O)CCCCC(=O)O.C(CCCO)CCO

Isomeric SMILES

CCC(CO)(CO)CO.C(CCCCCC(=O)O)CCCCC(=O)O.C(CCCO)CCO

InChI

InChI=1S/C12H22O4.C6H14O3.C6H14O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8/h1-10H2,(H,13,14)(H,15,16);7-9H,2-5H2,1H3;7-8H,1-6H2