butane-1,1-diol; hexanedioate; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: butane-1,1-diol; hexanedioate; 2-(2-hydroxyethyloxy)ethanol Openeye Name: butane-1,1-diol; hexanedioate; 2-(2-hydroxyethoxy)ethanol CAS Name: butane-1,1-diol; hexanedioate; 2-(2-hydroxyethoxy)ethanol IUPAC Name: butane-1,1-diol; hexanedioate; 2-(2-hydroxyethoxy)ethanol Traditional Name: adipate; butane-1,1-diol; 2-(2-hydroxyethoxy)ethanol Formula: C14H28O9-2 MolecularWeight: 340.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C4H10O3.C4H10O2/c7-5(8)3-1-2-4-6(9)10;5-1-3-7-4-2-6;1-2-3-4(5)6/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2;4-6H,2-3H2,1H3/p-2