2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; iron(2+); (2R,3S,4R,5R)-6-oxidanidyl-2,3,4,5-tetrakis(oxidanyl)hexanoate

Systemtic Name: 2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; iron(2+); (2R,3S,4R,5R)-6-oxidanidyl-2,3,4,5-tetrakis(oxidanyl)hexanoate Openeye Name: ferrous; 2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxido-hexanoate CAS Name: 2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; iron(2+); (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxidohexanoate IUPAC Name: 2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; iron(2+); (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxidohexanoate Traditional Name: ferrous; 2-(chloromethyl)oxirane; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxido-hexanoate Formula: C15H29ClFeO14 MolecularWeight: 524.68036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)CCl.C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)[O-].[Fe+2]

Isomeric SMILES

C1C(O1)CCl.C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)[O-].[Fe+2]

InChI

InChI=1S/C6H11O7.C6H14O6.C3H5ClO.Fe/c7-1-2(8)3(9)4(10)5(11)6(12)13;7-1-3(9)5(11)6(12)4(10)2-8;4-1-3-2-5-3;/h2-5,8-11H,1H2,(H,12,13);3-12H,1-2H2;3H,1-2H2;/q-1;;;+2/p-1/t2-,3-,4+,5-;3-,4+,5-,6-;;/m11../s1