carbon monoxide; iron(2+); methyl (3S)-3-(nitromethyl)hexanoate; triphenylphosphane

Systemtic Name: carbon monoxide; iron(2+); methyl (3S)-3-(nitromethyl)hexanoate; triphenylphosphane Openeye Name: ferrous; carbon monoxide; methyl (3S)-3-(nitromethyl)hexanoate; triphenylphosphane CAS Name: carbon monoxide; iron(2+); (3S)-3-(nitromethyl)hexanoic acid methyl ester; triphenylphosphine IUPAC Name: carbon monoxide; iron(2+); methyl (3S)-3-(nitromethyl)hexanoate; triphenylphosphane Traditional Name: ferrous; carbon monoxide; (3S)-3-(nitromethyl)hexanoic acid methyl ester; triphenylphosphine Formula: C28H26FeNO6P+ MolecularWeight: 559.327901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH-]C(C[N+](=O)[O-])[CH][CH][CH2].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

Isomeric SMILES

COC(=O)[CH-][C@@H](C[N+](=O)[O-])[CH][CH][CH2].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/C18H15P.C8H11NO4.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-7(6-9(11)12)5-8(10)13-2;2*1-2;/h1-15H;3-5,7H,1,6H2,2H3;;;/q;-1;;;+2/t;7-;;;/m.0.../s1