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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=C1S(=O)(=O)[O-].C(=CC(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C=CC1=CC=CC=C1S(=O)(=O)[O-].C(=C/C(=O)O)\C(=O)O.[Na+]

InChI

InChI=1S/C8H8O3S.C4H4O4.Na/c1-2-7-5-3-4-6-8(7)12(9,10)11;5-3(6)1-2-4(7)8;/h2-6H,1H2,(H,9,10,11);1-2H,(H,5,6)(H,7,8);/q;;+1/p-1/b;2-1+;