(1,3-diethyl-5-hydroxyimino-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-ylidene)oxidanium; iron

Systemtic Name: (1,3-diethyl-5-hydroxyimino-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-ylidene)oxidanium; iron Openeye Name: (1,3-diethyl-5-hydroxyimino-6-oxo-2-thioxo-hexahydropyrimidin-4-ylidene)oxonium; iron CAS Name: (1,3-diethyl-5-hydroxyimino-6-oxo-2-sulfanylidene-1,3-diazinan-4-ylidene)oxonium; iron IUPAC Name: (1,3-diethyl-5-hydroxyimino-6-oxo-2-sulfanylidene-1,3-diazinan-4-ylidene)oxidanium; iron Traditional Name: (1,3-diethyl-5-hydroximino-6-keto-2-thioxo-hexahydropyrimidin-4-ylidene)oxonium; iron Formula: C24H36FeN9O9S3+3 MolecularWeight: 746.63754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.[Fe]

Isomeric SMILES

CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.CCN1C(=[OH+])C(=NO)C(=O)N(C1=S)CC.[Fe]

InChI

InChI=1S/3C8H11N3O3S.Fe/c3*1-3-10-6(12)5(9-14)7(13)11(4-2)8(10)15;/h3*14H,3-4H2,1-2H3;/p+3