2-methylidenebutanedioic acid; 2-methylideneheptanoate

Systemtic Name: 2-methylidenebutanedioic acid; 2-methylideneheptanoate Openeye Name: 2-methylenebutanedioic acid; 2-methyleneheptanoate CAS Name: 2-methylenebutanedioic acid; 2-methyleneheptanoate IUPAC Name: 2-methylidenebutanedioic acid; 2-methylideneheptanoate Traditional Name: 2-amylacrylate; itaconic acid Formula: C13H19O6- MolecularWeight: 271.28636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O2.C5H6O4/c1-3-4-5-6-7(2)8(9)10;1-3(5(8)9)2-4(6)7/h2-6H2,1H3,(H,9,10);1-2H2,(H,6,7)(H,8,9)/p-1