butane-1,4-diol; ethane-1,2-diol; hexanedioic acid

Systemtic Name: butane-1,4-diol; ethane-1,2-diol; hexanedioic acid Openeye Name: adipic acid; butane-1,4-diol; ethylene glycol CAS Name: butane-1,4-diol; ethane-1,2-diol; hexanedioic acid IUPAC Name: butane-1,4-diol; ethane-1,2-diol; hexanedioic acid Traditional Name: adipic acid; butane-1,4-diol; ethylene glycol Formula: C12H26O8 MolecularWeight: 298.33004

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O

Isomeric SMILES

C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O

InChI

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