butane-1,1-diol; ethane-1,1-diol; hexanedioate

Systemtic Name: butane-1,1-diol; ethane-1,1-diol; hexanedioate Openeye Name: butane-1,1-diol; ethane-1,1-diol; hexanedioate CAS Name: butane-1,1-diol; ethane-1,1-diol; hexanedioate IUPAC Name: butane-1,1-diol; ethane-1,1-diol; hexanedioate Traditional Name: adipate; butane-1,1-diol; ethane-1,1-diol Formula: C12H24O8-2 MolecularWeight: 296.31416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C4H10O2.C2H6O2/c7-5(8)3-1-2-4-6(9)10;1-2-3-4(5)6;1-2(3)4/h1-4H2,(H,7,8)(H,9,10);4-6H,2-3H2,1H3;2-4H,1H3/p-2