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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoate IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-ethylhexanoate Formula: C18H39O10- MolecularWeight: 415.49626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

InChI

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