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calcium 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

calcium 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name:calcium 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate
Openeye Name:calcium 6-methylsulfinyl-9-oxo-xanthene-2-carboxylate
CAS Name:calcium 6-methylsulfinyl-9-oxo-2-xanthenecarboxylate
IUPAC Name:calcium 6-methylsulfinyl-9-oxoxanthene-2-carboxylate
Traditional Name:calcium 9-keto-6-methylsulfinyl-xanthene-2-carboxylate
Formula: C30H18CaO10S2
MolecularWeight: 642.66592
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].CS(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Ca+2]


Isomeric SMILES

CS(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].CS(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].[Ca+2]


InChI

InChI=1S/2C15H10O5S.Ca/c2*1-21(19)9-3-4-10-13(7-9)20-12-5-2-8(15(17)18)6-11(12)14(10)16;/h2*2-7H,1H3,(H,17,18);/q;;+2/p-2


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