[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] heptanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] heptanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] heptanoate CAS Name: heptanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] heptanoate Traditional Name: enanthic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C12H24O5 MolecularWeight: 248.31596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C12H24O5/c1-2-3-4-5-6-11(16)17-10-12(7-13,8-14)9-15/h13-15H,2-10H2,1H3