calcium (E)-2-phenylethenesulfonate

Systemtic Name: calcium (E)-2-phenylethenesulfonate Openeye Name: calcium (E)-2-phenylethenesulfonate CAS Name: calcium (E)-2-phenylethenesulfonate IUPAC Name: calcium (E)-2-phenylethenesulfonate Traditional Name: calcium (E)-2-phenylethenesulfonate Formula: C16H14CaO6S2 MolecularWeight: 406.48676

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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-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[Ca+2]

InChI

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