(2-methyl-5-oxidanylidene-heptan-4-yl) hydrogen carbonate

Systemtic Name: (2-methyl-5-oxidanylidene-heptan-4-yl) hydrogen carbonate Openeye Name: (1-isobutyl-2-oxo-butyl) hydrogen carbonate CAS Name: carbonic acid (2-methyl-5-oxoheptan-4-yl) ester IUPAC Name: (2-methyl-5-oxoheptan-4-yl) hydrogen carbonate Traditional Name: carbonic acid (1-isobutyl-2-keto-butyl) ester Formula: C9H16O4 MolecularWeight: 188.22094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)C)OC(=O)O

Isomeric SMILES

CCC(=O)C(CC(C)C)OC(=O)O

InChI

InChI=1S/C9H16O4/c1-4-7(10)8(5-6(2)3)13-9(11)12/h6,8H,4-5H2,1-3H3,(H,11,12)