sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid

Systemtic Name: sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid Openeye Name: sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid CAS Name: sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid IUPAC Name: sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid Traditional Name: sodium; buta-1,3-diene; (E)-2-phenylethenesulfonic acid Formula: C12H14NaO3S+ MolecularWeight: 261.29253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C4H6.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-3-4-2;/h1-7H,(H,9,10,11);3-4H,1-2H2;/q;;+1/b7-6+;;