trisodium; 2-methylidenebutanedioate; (E)-2-phenylethenesulfonate

Systemtic Name: trisodium; 2-methylidenebutanedioate; (E)-2-phenylethenesulfonate Openeye Name: trisodium; 2-methylenebutanedioate; (E)-2-phenylethenesulfonate CAS Name: trisodium; 2-methylenebutanedioate; (E)-2-phenylethenesulfonate IUPAC Name: trisodium; 2-methylidenebutanedioate; (E)-2-phenylethenesulfonate Traditional Name: trisodium; itaconate; (E)-2-phenylethenesulfonate Formula: C13H11Na3O7S MolecularWeight: 380.25655

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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-].[Na+].[Na+].[Na+]

Isomeric SMILES

C=C(CC(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H8O3S.C5H6O4.3Na/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);;;/q;;3*+1/p-3/b7-6+;;;;