2-butylbutanedioate; hexanedioate

Systemtic Name: 2-butylbutanedioate; hexanedioate Openeye Name: 2-butylbutanedioate; hexanedioate CAS Name: 2-butylbutanedioate; hexanedioate IUPAC Name: 2-butylbutanedioate; hexanedioate Traditional Name: adipate; 2-butylsuccinate Formula: C14H20O8-4 MolecularWeight: 316.3038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O4.C6H10O4/c1-2-3-4-6(8(11)12)5-7(9)10;7-5(8)3-1-2-4-6(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)/p-4