calcium 5-bromanyl-2-(4-bromanylphenoxy)benzenesulfonate

Systemtic Name: calcium 5-bromanyl-2-(4-bromanylphenoxy)benzenesulfonate Openeye Name: calcium 5-bromo-2-(4-bromophenoxy)benzenesulfonate CAS Name: calcium 5-bromo-2-(4-bromophenoxy)benzenesulfonate IUPAC Name: calcium 5-bromo-2-(4-bromophenoxy)benzenesulfonate Traditional Name: calcium 5-bromo-2-(4-bromophenoxy)besylate Formula: C24H14Br4CaO8S2 MolecularWeight: 854.18716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.[Ca+2]

InChI

InChI=1S/2C12H8Br2O4S.Ca/c2*13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17;/h2*1-7H,(H,15,16,17);/q;;+2/p-2