carbon monoxide; cyclopentane; (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-decan-1-one; iron(2+); triphenylphosphane

Systemtic Name: carbon monoxide; cyclopentane; (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-decan-1-one; iron(2+); triphenylphosphane Openeye Name: ferrous; (2S,3S,5S)-5-benzyloxy-2-hexyl-3-hydroxy-decan-1-one; carbon monoxide; cyclopentane; triphenylphosphane CAS Name: carbon monoxide; cyclopentane; (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxy-1-decanone; iron(2+); triphenylphosphine IUPAC Name: carbon monoxide; cyclopentane; (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxydecan-1-one; iron(2+); triphenylphosphane Traditional Name: ferrous; (2S,3S,5S)-5-benzoxy-2-hexyl-3-hydroxy-decan-1-one; carbon monoxide; cyclopentane; triphenylphosphine Formula: C47H57FeO4P+ MolecularWeight: 772.771841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC([C-]=O)C(CC(CCCCC)OCC1=CC=CC=C1)O.[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

CCCCCC[C@H]([C-]=O)[C@H](C[C@H](CCCCC)OCC1=CC=CC=C1)O.[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/C23H37O3.C18H15P.C5H5.CO.Fe/c1-3-5-7-12-15-21(18-24)23(25)17-22(16-9-6-4-2)26-19-20-13-10-8-11-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2;/h8,10-11,13-14,21-23,25H,3-7,9,12,15-17,19H2,1-2H3;1-15H;1-5H;;/q-1;;;;+2/t21-,22+,23+;;;;/m1..../s1