butane-1,1-diol; hexanedioate; hexane-1,1-diol

Systemtic Name: butane-1,1-diol; hexanedioate; hexane-1,1-diol Openeye Name: butane-1,1-diol; hexanedioate; hexane-1,1-diol CAS Name: butane-1,1-diol; hexanedioate; hexane-1,1-diol IUPAC Name: butane-1,1-diol; hexanedioate; hexane-1,1-diol Traditional Name: adipate; butane-1,1-diol; hexane-1,1-diol Formula: C16H32O8-2 MolecularWeight: 352.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C6H14O2.C4H10O2/c7-5(8)3-1-2-4-6(9)10;1-2-3-4-5-6(7)8;1-2-3-4(5)6/h1-4H2,(H,7,8)(H,9,10);6-8H,2-5H2,1H3;4-6H,2-3H2,1H3/p-2