carbon monoxide; ethanone; iron(2+); methyl 2-methyl-4-phenyl-cyclopentane-1-carboxylate; triphenylphosphane

Systemtic Name: carbon monoxide; ethanone; iron(2+); methyl 2-methyl-4-phenyl-cyclopentane-1-carboxylate; triphenylphosphane Openeye Name: ferrous; carbon monoxide; ethanone; methyl 2-methyl-4-phenyl-cyclopentanecarboxylate; triphenylphosphane CAS Name: carbon monoxide; ethanone; iron(2+); 2-methyl-4-phenyl-1-cyclopentanecarboxylic acid methyl ester; triphenylphosphine IUPAC Name: carbon monoxide; ethanone; iron(2+); methyl 2-methyl-4-phenylcyclopentane-1-carboxylate; triphenylphosphane Traditional Name: ferrous; carbon monoxide; ethanone; 2-methyl-4-phenyl-cyclopentanecarboxylic acid methyl ester; triphenylphosphine Formula: C35H31FeO4P+ MolecularWeight: 602.437001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15P.C14H13O2.C2H3O.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-12(9-13(10)14(15)16-2)11-6-4-3-5-7-11;1-2-3;1-2;/h1-15H;3-9H,1-2H3;1H3;;/q;;-1;;+2