carbon monoxide; iron(2+); methyl (3S)-3-propylhex-5-enoate; triphenylphosphane

Systemtic Name: carbon monoxide; iron(2+); methyl (3S)-3-propylhex-5-enoate; triphenylphosphane Openeye Name: ferrous; carbon monoxide; methyl (3S)-3-propylhex-5-enoate; triphenylphosphane CAS Name: carbon monoxide; iron(2+); (3S)-3-propyl-5-hexenoic acid methyl ester; triphenylphosphine IUPAC Name: carbon monoxide; iron(2+); methyl (3S)-3-propylhex-5-enoate; triphenylphosphane Traditional Name: ferrous; carbon monoxide; (3S)-3-propylhex-5-enoic acid methyl ester; triphenylphosphine Formula: C30H29FeO4P+ MolecularWeight: 540.367621

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH-]C(CC=C)[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](CC=C)[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.C10H14O2.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6-9(7-5-2)8-10(11)12-3;2*1-2;/h1-15H;4-6,8-9H,1-2,7H2,3H3;;;/q;-1;;;+2/t;9-;;;/m.1.../s1