but-3-enoate; 2-methylidenebutanedioate

Systemtic Name: but-3-enoate; 2-methylidenebutanedioate Openeye Name: but-3-enoate; 2-methylenebutanedioate CAS Name: 3-butenoate; 2-methylenebutanedioate IUPAC Name: but-3-enoate; 2-methylidenebutanedioate Traditional Name: but-3-enoate; itaconate Formula: C9H9O6-3 MolecularWeight: 213.16416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C4H6O2/c1-3(5(8)9)2-4(6)7;1-2-3-4(5)6/h1-2H2,(H,6,7)(H,8,9);2H,1,3H2,(H,5,6)/p-3