sodium; but-3-enoate; 2-ethenylbenzenesulfonate

Systemtic Name: sodium; but-3-enoate; 2-ethenylbenzenesulfonate Openeye Name: sodium; but-3-enoate; 2-vinylbenzenesulfonate CAS Name: sodium; 3-butenoate; 2-ethenylbenzenesulfonate IUPAC Name: sodium; but-3-enoate; 2-ethenylbenzenesulfonate Traditional Name: sodium; but-3-enoate; 2-vinylbesylate Formula: C12H12NaO5S- MolecularWeight: 291.27545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C4H6O2.Na/c1-2-7-5-3-4-6-8(7)12(9,10)11;1-2-3-4(5)6;/h2-6H,1H2,(H,9,10,11);2H,1,3H2,(H,5,6);/q;;+1/p-2