(E)-but-2-enedioate; 2-methylidenebutanedioate; prop-2-enoate

Systemtic Name: (E)-but-2-enedioate; 2-methylidenebutanedioate; prop-2-enoate Openeye Name: (E)-but-2-enedioate; 2-methylenebutanedioate; prop-2-enoate CAS Name: (E)-2-butenedioate; 2-methylenebutanedioate; 2-propenoate IUPAC Name: (E)-but-2-enedioate; 2-methylidenebutanedioate; prop-2-enoate Traditional Name: acrylate; itaconate; fumarate Formula: C12H9O10-5 MolecularWeight: 313.19386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C4H4O4.C3H4O2/c1-3(5(8)9)2-4(6)7;5-3(6)1-2-4(7)8;1-2-3(4)5/h1-2H2,(H,6,7)(H,8,9);1-2H,(H,5,6)(H,7,8);2H,1H2,(H,4,5)/p-5/b;2-1+;