2-methylidenebutanedioic acid; 2-methylidenehexanoate

Systemtic Name: 2-methylidenebutanedioic acid; 2-methylidenehexanoate Openeye Name: 2-methylenebutanedioic acid; 2-methylenehexanoate CAS Name: 2-methylenebutanedioic acid; 2-methylenehexanoate IUPAC Name: 2-methylidenebutanedioic acid; 2-methylidenehexanoate Traditional Name: 2-butylacrylate; itaconic acid Formula: C12H17O6- MolecularWeight: 257.25978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O2.C5H6O4/c1-3-4-5-6(2)7(8)9;1-3(5(8)9)2-4(6)7/h2-5H2,1H3,(H,8,9);1-2H2,(H,6,7)(H,8,9)/p-1