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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; butyl benzoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; butyl benzoate CAS Name: benzoic acid butyl ester; 2,2-bis(hydroxymethyl)propane-1,3-diol IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; butyl benzoate Traditional Name: benzoic acid butyl ester; 2,2-dimethylolpropane-1,3-diol Formula: C16H26O6 MolecularWeight: 314.37404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1.C(C(CO)(CO)CO)O

InChI

InChI=1S/C11H14O2.C5H12O4/c1-2-3-9-13-11(12)10-7-5-4-6-8-10;6-1-5(2-7,3-8)4-9/h4-8H,2-3,9H2,1H3;6-9H,1-4H2