barium(2+); 4-[2-(4-methoxyphenyl)ethanoylamino]benzenesulfonate

Systemtic Name: barium(2+); 4-[2-(4-methoxyphenyl)ethanoylamino]benzenesulfonate Openeye Name: barium(2+); 4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate CAS Name: barium(2+); 4-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]benzenesulfonate IUPAC Name: barium(2+); 4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate Traditional Name: barium(2+); 4-[[2-(4-methoxyphenyl)acetyl]amino]besylate Formula: C30H28BaN2O10S2 MolecularWeight: 778.00772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C15H15NO5S.Ba/c2*1-21-13-6-2-11(3-7-13)10-15(17)16-12-4-8-14(9-5-12)22(18,19)20;/h2*2-9H,10H2,1H3,(H,16,17)(H,18,19,20);/q;;+2/p-2