2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-ethylhexanoic acid; 5-methylhexanoic acid Formula: C20H42O8 MolecularWeight: 410.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CC(C)CCCC(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCC(CC)C(=O)O.CC(C)CCCC(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C8H16O2.C7H14O2.C5H12O4/c1-3-5-6-7(4-2)8(9)10;1-6(2)4-3-5-7(8)9;6-1-5(2-7,3-8)4-9/h7H,3-6H2,1-2H3,(H,9,10);6H,3-5H2,1-2H3,(H,8,9);6-9H,1-4H2