ethane-1,2-diol; 2-methylbutanedioate

Systemtic Name: ethane-1,2-diol; 2-methylbutanedioate Openeye Name: ethylene glycol; 2-methylbutanedioate CAS Name: ethane-1,2-diol; 2-methylbutanedioate IUPAC Name: ethane-1,2-diol; 2-methylbutanedioate Traditional Name: ethylene glycol; 2-methylsuccinate Formula: C7H12O6-2 MolecularWeight: 192.16658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C(=O)[O-].C(CO)O

Isomeric SMILES

CC(CC(=O)[O-])C(=O)[O-].C(CO)O

InChI

InChI=1S/C5H8O4.C2H6O2/c1-3(5(8)9)2-4(6)7;3-1-2-4/h3H,2H2,1H3,(H,6,7)(H,8,9);3-4H,1-2H2/p-2