ethanedioic acid; heptan-2-one

Systemtic Name: ethanedioic acid; heptan-2-one Openeye Name: heptan-2-one; oxalic acid CAS Name: 2-heptanone; oxalic acid IUPAC Name: heptan-2-one; oxalic acid Traditional Name: heptan-2-one; oxalic acid Formula: C9H16O5 MolecularWeight: 204.22034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C7H14O.C2H2O4/c1-3-4-5-6-7(2)8;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)