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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-ethylhexanoic acid Formula: C58H120O20 MolecularWeight: 1137.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C8H16O2.2C5H12O4/c6*1-3-5-6-7(4-2)8(9)10;2*6-1-5(2-7,3-8)4-9/h6*7H,3-6H2,1-2H3,(H,9,10);2*6-9H,1-4H2