hexanoate; [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] pentanoate

Systemtic Name: hexanoate; [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] pentanoate Openeye Name: hexanoate; [4-hydroxy-1,1-bis(hydroxymethyl)butyl] pentanoate CAS Name: hexanoate; pentanoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] pentanoate; hexanoate Traditional Name: hexanoate; valeric acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C17H33O7- MolecularWeight: 349.43972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].CCCCC(=O)OC(CCCO)(CO)CO

Isomeric SMILES

CCCCCC(=O)[O-].CCCCC(=O)OC(CCCO)(CO)CO

InChI

InChI=1S/C11H22O5.C6H12O2/c1-2-3-5-10(15)16-11(8-13,9-14)6-4-7-12;1-2-3-4-5-6(7)8/h12-14H,2-9H2,1H3;2-5H2,1H3,(H,7,8)/p-1