carbon monoxide; cyclopentane; (E)-5,5-dimethoxypent-2-en-1-one; iron(2+); triphenylphosphane

Systemtic Name: carbon monoxide; cyclopentane; (E)-5,5-dimethoxypent-2-en-1-one; iron(2+); triphenylphosphane Openeye Name: ferrous; carbon monoxide; cyclopentane; (E)-5,5-dimethoxypent-2-en-1-one; triphenylphosphane CAS Name: carbon monoxide; cyclopentane; (E)-5,5-dimethoxy-2-penten-1-one; iron(2+); triphenylphosphine IUPAC Name: carbon monoxide; cyclopentane; (E)-5,5-dimethoxypent-2-en-1-one; iron(2+); triphenylphosphane Traditional Name: ferrous; carbon monoxide; cyclopentane; (E)-5,5-dimethoxypent-2-en-1-one; triphenylphosphine Formula: C31H31FeO4P+ MolecularWeight: 554.394201

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC=C[C-]=O)OC.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(C/C=C/[C-]=O)OC.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H15P.C7H11O3.C5H5.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-7(10-2)5-3-4-6-8;1-2-4-5-3-1;1-2;/h1-15H;3-4,7H,5H2,1-2H3;1-5H;;/q;-1;;;+2/b;4-3+;;;