iron(2+); 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: iron(2+); 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ferrous 6-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: iron(2+); 6-methylsulfinyl-9-oxo-2-xanthenecarboxylate IUPAC Name: iron(2+); 6-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: ferrous 9-keto-6-methylsulfinyl-xanthene-2-carboxylate Formula: C30H18FeO10S2 MolecularWeight: 658.43292

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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-].[Fe+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-].[Fe+2]

InChI

InChI=1S/2C15H10O5S.Fe/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