hexane; hexanedioate

Systemtic Name: hexane; hexanedioate Openeye Name: hexane; hexanedioate CAS Name: hexane; hexanedioate IUPAC Name: hexane; hexanedioate Traditional Name: adipate; n-hexane Formula: C12H22O4-2 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCCCCC.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C6H10O4.C6H14/c7-5(8)3-1-2-4-6(9)10;1-3-5-6-4-2/h1-4H2,(H,7,8)(H,9,10);3-6H2,1-2H3/p-2