[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 6-methylheptanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 6-methylheptanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 6-methylheptanoate CAS Name: 6-methylheptanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 6-methylheptanoate Traditional Name: 6-methylenanthic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C13H26O5 MolecularWeight: 262.34254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26O5/c1-11(2)5-3-4-6-12(17)18-10-13(7-14,8-15)9-16/h11,14-16H,3-10H2,1-2H3