barium(2+); 4-oxidanylidene-2,3-dihydrochromene-6-sulfonate

Systemtic Name: barium(2+); 4-oxidanylidene-2,3-dihydrochromene-6-sulfonate Openeye Name: barium(2+); 4-oxochromane-6-sulfonate CAS Name: barium(2+); 4-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonate IUPAC Name: barium(2+); 4-oxo-2,3-dihydrochromene-6-sulfonate Traditional Name: barium(2+); 4-ketochroman-6-sulfonate Formula: C18H14BaO10S2 MolecularWeight: 591.75476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)[O-].C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)[O-].C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C9H8O5S.Ba/c2*10-8-3-4-14-9-2-1-6(5-7(8)9)15(11,12)13;/h2*1-2,5H,3-4H2,(H,11,12,13);/q;;+2/p-2