iron(2+); methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexyl]carbamodithioic acid

Systemtic Name: iron(2+); methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexyl]carbamodithioic acid Openeye Name: ferrous methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid CAS Name: iron(2+); methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid IUPAC Name: iron(2+); methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid Traditional Name: ferrous methyl-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid Formula: C24H51FeN3O15S6+2 MolecularWeight: 869.90784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(C(C(CO)O)O)O)O)C(=S)S.CN(CC(C(C(C(CO)O)O)O)O)C(=S)S.CN(CC(C(C(C(CO)O)O)O)O)C(=S)S.[Fe+2]

Isomeric SMILES

CN(C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)C(=S)S.CN(C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)C(=S)S.CN(C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)C(=S)S.[Fe+2]

InChI

InChI=1S/3C8H17NO5S2.Fe/c3*1-9(8(15)16)2-4(11)6(13)7(14)5(12)3-10;/h3*4-7,10-14H,2-3H2,1H3,(H,15,16);/q;;;+2/t3*4-,5+,6-,7-;/m111./s1