3-oxidanylideneoctan-2-yl hydrogen carbonate

Systemtic Name: 3-oxidanylideneoctan-2-yl hydrogen carbonate Openeye Name: (1-methyl-2-oxo-heptyl) hydrogen carbonate CAS Name: carbonic acid 3-oxooctan-2-yl ester IUPAC Name: 3-oxooctan-2-yl hydrogen carbonate Traditional Name: carbonic acid (2-keto-1-methyl-heptyl) ester Formula: C9H16O4 MolecularWeight: 188.22094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)OC(=O)O

Isomeric SMILES

CCCCCC(=O)C(C)OC(=O)O

InChI

InChI=1S/C9H16O4/c1-3-4-5-6-8(10)7(2)13-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)