heptanoic acid; 4-oxidanylcyclopentane-1,3-dione

Systemtic Name: heptanoic acid; 4-oxidanylcyclopentane-1,3-dione Openeye Name: heptanoic acid; 4-hydroxycyclopentane-1,3-dione CAS Name: heptanoic acid; 4-hydroxycyclopentane-1,3-dione IUPAC Name: heptanoic acid; 4-hydroxycyclopentane-1,3-dione Traditional Name: enanthic acid; 4-hydroxycyclopentane-1,3-quinone Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.C1C(C(=O)CC1=O)O

Isomeric SMILES

CCCCCCC(=O)O.C1C(C(=O)CC1=O)O

InChI

InChI=1S/C7H14O2.C5H6O3/c1-2-3-4-5-6-7(8)9;6-3-1-4(7)5(8)2-3/h2-6H2,1H3,(H,8,9);4,7H,1-2H2