calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)non-1-enoxy]benzenesulfonate

Systemtic Name: calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)non-1-enoxy]benzenesulfonate Openeye Name: calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy]benzenesulfonate CAS Name: calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy]benzenesulfonate IUPAC Name: calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy]benzenesulfonate Traditional Name: calcium 4-[(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy]besylate Formula: C30H8CaF34O8S2 MolecularWeight: 1246.533429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)S(=O)(=O)[O-].C1=CC(=CC=C1OC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1O/C(=C(/F)\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/F)S(=O)(=O)[O-].C1=CC(=CC=C1O/C(=C(/F)\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/F)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C15H5F17O4S.Ca/c2*16-7(8(17)36-5-1-3-6(4-2-5)37(33,34)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h2*1-4H,(H,33,34,35);/q;;+2/p-2/b2*8-7+;