barium(2+); 4-[(Z)-1-fluoranylnon-1-enoxy]benzenesulfonate

Systemtic Name: barium(2+); 4-[(Z)-1-fluoranylnon-1-enoxy]benzenesulfonate Openeye Name: barium(2+); 4-[(Z)-1-fluoronon-1-enoxy]benzenesulfonate CAS Name: barium(2+); 4-[(Z)-1-fluoronon-1-enoxy]benzenesulfonate IUPAC Name: barium(2+); 4-[(Z)-1-fluoronon-1-enoxy]benzenesulfonate Traditional Name: barium(2+); 4-[(Z)-1-fluoronon-1-enoxy]besylate Formula: C30H40BaF2O8S2 MolecularWeight: 768.087606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=C(OC1=CC=C(C=C1)S(=O)(=O)[O-])F.CCCCCCCC=C(OC1=CC=C(C=C1)S(=O)(=O)[O-])F.[Ba+2]

Isomeric SMILES

CCCCCCC/C=C(\F)/OC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCC/C=C(\F)/OC1=CC=C(C=C1)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C15H21FO4S.Ba/c2*1-2-3-4-5-6-7-8-15(16)20-13-9-11-14(12-10-13)21(17,18)19;/h2*8-12H,2-7H2,1H3,(H,17,18,19);/q;;+2/p-2/b2*15-8+;