[3-(hydroxymethyl)-4-oxidanyl-heptan-4-yl] methanoate ethanoate

Systemtic Name: [3-(hydroxymethyl)-4-oxidanyl-heptan-4-yl] methanoate ethanoate Openeye Name: [1-hydroxy-2-(hydroxymethyl)-1-propyl-butyl] formate acetate CAS Name: formic acid [4-hydroxy-3-(hydroxymethyl)heptan-4-yl] ester acetate IUPAC Name: [4-hydroxy-3-(hydroxymethyl)heptan-4-yl] formate acetate Traditional Name: formic acid (1-hydroxy-2-methylol-1-propyl-butyl) ester acetate Formula: C11H21O6- MolecularWeight: 249.28084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CO)(O)OC=O.CC(=O)[O-]

Isomeric SMILES

CCCC(C(CC)CO)(O)OC=O.CC(=O)[O-]

InChI

InChI=1S/C9H18O4.C2H4O2/c1-3-5-9(12,13-7-11)8(4-2)6-10;1-2(3)4/h7-8,10,12H,3-6H2,1-2H3;1H3,(H,3,4)/p-1