barium(2+); 2-[(E)-dodec-1-enyl]benzenesulfonate

Systemtic Name: barium(2+); 2-[(E)-dodec-1-enyl]benzenesulfonate Openeye Name: barium(2+); 2-[(E)-dodec-1-enyl]benzenesulfonate CAS Name: barium(2+); 2-[(E)-dodec-1-enyl]benzenesulfonate IUPAC Name: barium(2+); 2-[(E)-dodec-1-enyl]benzenesulfonate Traditional Name: barium(2+); 2-[(E)-dodec-1-enyl]besylate Formula: C36H54BaO6S2 MolecularWeight: 784.26736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCC=CC1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCC/C=C/C1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCC/C=C/C1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C18H28O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*11-16H,2-10H2,1H3,(H,19,20,21);/q;;+2/p-2/b2*14-11+;