cyclohexanone; hexanoate

Systemtic Name: cyclohexanone; hexanoate Openeye Name: cyclohexanone; hexanoate CAS Name: cyclohexanone; hexanoate IUPAC Name: cyclohexanone; hexanoate Traditional Name: cyclohexanone; hexanoate Formula: C12H21O3- MolecularWeight: 213.29334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].C1CCC(=O)CC1

Isomeric SMILES

CCCCCC(=O)[O-].C1CCC(=O)CC1

InChI

InChI=1S/C6H12O2.C6H10O/c1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h2-5H2,1H3,(H,7,8);1-5H2/p-1