sodium; (E)-but-2-enedioic acid; (E)-2-phenylethenesulfonate

Systemtic Name: sodium; (E)-but-2-enedioic acid; (E)-2-phenylethenesulfonate Openeye Name: sodium; fumaric acid; (E)-2-phenylethenesulfonate CAS Name: sodium; (E)-2-butenedioic acid; (E)-2-phenylethenesulfonate IUPAC Name: sodium; (E)-but-2-enedioic acid; (E)-2-phenylethenesulfonate Traditional Name: sodium; fumaric acid; (E)-2-phenylethenesulfonate Formula: C12H11NaO7S MolecularWeight: 322.26631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C4H4O4.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;5-3(6)1-2-4(7)8;/h1-7H,(H,9,10,11);1-2H,(H,5,6)(H,7,8);/q;;+1/p-1/b7-6+;2-1+;