carbon monoxide; cyclopentane; iron(2+); (2R,3R)-3-phenethyl-2-(phenylsulfanylmethyl)cyclooctan-1-one

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); (2R,3R)-3-phenethyl-2-(phenylsulfanylmethyl)cyclooctan-1-one Openeye Name: ferrous; carbon monoxide; cyclopentane; (2R,3R)-3-phenethyl-2-(phenylsulfanylmethyl)cyclooctanone CAS Name: carbon monoxide; cyclopentane; iron(2+); (2R,3R)-3-phenethyl-2-[(phenylthio)methyl]-1-cyclooctanone IUPAC Name: carbon monoxide; cyclopentane; iron(2+); (2R,3R)-3-phenethyl-2-(phenylsulfanylmethyl)cyclooctan-1-one Traditional Name: ferrous; carbon monoxide; cyclopentane; (2R,3R)-3-phenethyl-2-[(phenylthio)methyl]cyclooctanone Formula: C30H37FeO3S+ MolecularWeight: 533.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1CCCC1.C1CCC(C(C(=O)CC1)[CH-]SC2=CC=CC=C2)CCC3=CC=CC=C3.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1CCCC1.C1CC[C@@H]([C@H](C(=O)CC1)[CH-]SC2=CC=CC=C2)CCC3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/C23H27OS.C5H10.2CO.Fe/c24-23-15-9-2-6-12-20(17-16-19-10-4-1-5-11-19)22(23)18-25-21-13-7-3-8-14-21;1-2-4-5-3-1;2*1-2;/h1,3-5,7-8,10-11,13-14,18,20,22H,2,6,9,12,15-17H2;1-5H2;;;/q-1;;;;+2/t20-,22-;;;;/m1..../s1