4-tert-butyl-2-methylsulfonyl-1,6-diphenyl-hexa-1,4,5-trien-3-one; carbon monoxide; iron

Systemtic Name: 4-tert-butyl-2-methylsulfonyl-1,6-diphenyl-hexa-1,4,5-trien-3-one; carbon monoxide; iron Openeye Name: 4-tert-butyl-2-methylsulfonyl-1,6-diphenyl-hexa-1,4,5-trien-3-one; carbon monoxide; iron CAS Name: 4-tert-butyl-2-methylsulfonyl-1,6-diphenyl-3-hexa-1,4,5-trienone; carbon monoxide; iron IUPAC Name: 4-tert-butyl-2-methylsulfonyl-1,6-diphenylhexa-1,4,5-trien-3-one; carbon monoxide; iron Traditional Name: 4-tert-butyl-2-mesyl-1,6-diphenyl-hexa-1,4,5-trien-3-one; carbon monoxide; iron Formula: C26H23FeO6S- MolecularWeight: 519.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C=CC1=CC=CC=C1)C(=O)C(=[C-]C2=CC=CC=C2)S(=O)(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(C)(C)C(=C=CC1=CC=CC=C1)C(=O)C(=[C-]C2=CC=CC=C2)S(=O)(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C23H23O3S.3CO.Fe/c1-23(2,3)20(16-15-18-11-7-5-8-12-18)22(24)21(27(4,25)26)17-19-13-9-6-10-14-19;3*1-2;/h5-15H,1-4H3;;;;/q-1;;;;