6-[2,2-bis(hydroxymethyl)butoxy]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxidanylidene-hexanoate Openeye Name: 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxo-hexanoate CAS Name: 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoate IUPAC Name: 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoate Traditional Name: 6-(2,2-dimethylolbutoxy)-6-keto-hexanoate Formula: C12H21O6- MolecularWeight: 261.29154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)CCCCC(=O)[O-]

Isomeric SMILES

CCC(CO)(CO)COC(=O)CCCCC(=O)[O-]

InChI

InChI=1S/C12H22O6/c1-2-12(7-13,8-14)9-18-11(17)6-4-3-5-10(15)16/h13-14H,2-9H2,1H3,(H,15,16)/p-1