2-methylidenebutanedioic acid; (E)-2-phenylethenesulfonic acid

Systemtic Name: 2-methylidenebutanedioic acid; (E)-2-phenylethenesulfonic acid Openeye Name: 2-methylenebutanedioic acid; (E)-2-phenylethenesulfonic acid CAS Name: 2-methylenebutanedioic acid; (E)-2-phenylethenesulfonic acid IUPAC Name: 2-methylidenebutanedioic acid; (E)-2-phenylethenesulfonic acid Traditional Name: itaconic acid; (E)-2-phenylethenesulfonic acid Formula: C13H14O7S MolecularWeight: 314.31106

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)O)C(=O)O.C1=CC=C(C=C1)C=CS(=O)(=O)O

Isomeric SMILES

C=C(CC(=O)O)C(=O)O.C1=CC=C(C=C1)/C=C/S(=O)(=O)O

InChI

InChI=1S/C8H8O3S.C5H6O4/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-3(5(8)9)2-4(6)7/h1-7H,(H,9,10,11);1-2H2,(H,6,7)(H,8,9)/b7-6+;