calcium 4-(2-methylprop-2-enoxy)benzenesulfonate

Systemtic Name: calcium 4-(2-methylprop-2-enoxy)benzenesulfonate Openeye Name: calcium 4-(2-methylallyloxy)benzenesulfonate CAS Name: calcium 4-(2-methylprop-2-enoxy)benzenesulfonate IUPAC Name: calcium 4-(2-methylprop-2-enoxy)benzenesulfonate Traditional Name: calcium 4-(2-methylallyloxy)besylate Formula: C20H22CaO8S2 MolecularWeight: 494.59188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=C)COC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(=C)COC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=C)COC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H12O4S.Ca/c2*1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h2*3-6H,1,7H2,2H3,(H,11,12,13);/q;;+2/p-2