sodium; (E)-2-phenylethenesulfonic acid; propanoate

Systemtic Name: sodium; (E)-2-phenylethenesulfonic acid; propanoate Openeye Name: sodium; (E)-2-phenylethenesulfonic acid; propanoate CAS Name: sodium; (E)-2-phenylethenesulfonic acid; propanoate IUPAC Name: sodium; (E)-2-phenylethenesulfonic acid; propanoate Traditional Name: sodium; (E)-2-phenylethenesulfonic acid; propionate Formula: C11H13NaO5S MolecularWeight: 280.27269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C3H6O2.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-3(4)5;/h1-7H,(H,9,10,11);2H2,1H3,(H,4,5);/q;;+1/p-1/b7-6+;;