2-methylidenebutanedioic acid; (4E)-3-methyl-2-methylidene-hepta-4,6-dienoate

Systemtic Name: 2-methylidenebutanedioic acid; (4E)-3-methyl-2-methylidene-hepta-4,6-dienoate Openeye Name: 2-methylenebutanedioic acid; (4E)-3-methyl-2-methylene-hepta-4,6-dienoate CAS Name: 2-methylenebutanedioic acid; (4E)-3-methyl-2-methylenehepta-4,6-dienoate IUPAC Name: 2-methylidenebutanedioic acid; (4E)-3-methyl-2-methylidenehepta-4,6-dienoate Traditional Name: itaconic acid; (4E)-3-methyl-2-methylene-hepta-4,6-dienoate Formula: C14H17O6- MolecularWeight: 281.28118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O2.C5H6O4/c1-4-5-6-7(2)8(3)9(10)11;1-3(5(8)9)2-4(6)7/h4-7H,1,3H2,2H3,(H,10,11);1-2H2,(H,6,7)(H,8,9)/p-1/b6-5+;