1-tert-butyl-4-[methoxy-(phenylmethylsulfanyl)methyl]cyclohexane; carbon monoxide; chromium

Systemtic Name: 1-tert-butyl-4-[methoxy-(phenylmethylsulfanyl)methyl]cyclohexane; carbon monoxide; chromium Openeye Name: 1-[benzylsulfanyl(methoxy)methyl]-4-tert-butyl-cyclohexane; carbon monoxide; chromium CAS Name: 1-tert-butyl-4-[methoxy-(phenylmethylthio)methyl]cyclohexane; carbon monoxide; chromium IUPAC Name: 1-[benzylsulfanyl(methoxy)methyl]-4-tert-butylcyclohexane; carbon monoxide; chromium Traditional Name: 1-[(benzylthio)-methoxy-methyl]-4-tert-butyl-cyclohexane; carbon monoxide; chromium Formula: C22H24CrO4S MolecularWeight: 436.48466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][CH][C]([CH][CH]1)C(OC)SCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Isomeric SMILES

CC(C)(C)[C]1[CH][CH][C]([CH][CH]1)C(OC)SCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

InChI

InChI=1S/C19H24OS.3CO.Cr/c1-19(2,3)17-12-10-16(11-13-17)18(20-4)21-14-15-8-6-5-7-9-15;3*1-2;/h5-13,18H,14H2,1-4H3;;;;