2-methylidenebutanedioic acid; methyl (4E)-2-methylidenehepta-4,6-dienoate

Systemtic Name: 2-methylidenebutanedioic acid; methyl (4E)-2-methylidenehepta-4,6-dienoate Openeye Name: 2-methylenebutanedioic acid; methyl (4E)-2-methylenehepta-4,6-dienoate CAS Name: 2-methylenebutanedioic acid; (4E)-2-methylenehepta-4,6-dienoic acid methyl ester IUPAC Name: 2-methylidenebutanedioic acid; methyl (4E)-2-methylidenehepta-4,6-dienoate Traditional Name: itaconic acid; (4E)-2-methylenehepta-4,6-dienoic acid methyl ester Formula: C14H18O6 MolecularWeight: 282.28912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)CC=CC=C.C=C(CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C(=C)C/C=C/C=C.C=C(CC(=O)O)C(=O)O

InChI

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