azanium sodium (E)-2-phenylethenesulfonate

Systemtic Name: azanium sodium (E)-2-phenylethenesulfonate Openeye Name: ammonium sodium (E)-2-phenylethenesulfonate CAS Name: ammonium sodium (E)-2-phenylethenesulfonate IUPAC Name: azanium sodium (E)-2-phenylethenesulfonate Traditional Name: ammonium sodium (E)-2-phenylethenesulfonate Formula: C16H18NNaO6S2 MolecularWeight: 407.43699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)[O-].C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[NH4+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[NH4+].[Na+]

InChI

InChI=1S/2C8H8O3S.H3N.Na/c2*9-12(10,11)7-6-8-4-2-1-3-5-8;;/h2*1-7H,(H,9,10,11);1H3;/q;;;+1/p-1/b2*7-6+;;