tert-butyl 4-chloranylbenzoate; carbon monoxide; chromium

Systemtic Name: tert-butyl 4-chloranylbenzoate; carbon monoxide; chromium Openeye Name: tert-butyl 4-chlorobenzoate; carbon monoxide; chromium CAS Name: carbon monoxide; 4-chlorobenzoic acid tert-butyl ester; chromium IUPAC Name: tert-butyl 4-chlorobenzoate; carbon monoxide; chromium Traditional Name: carbon monoxide; 4-chlorobenzoic acid tert-butyl ester; chromium Formula: C14H13ClCrO5 MolecularWeight: 348.69912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

InChI

InChI=1S/C11H13ClO2.3CO.Cr/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;3*1-2;/h4-7H,1-3H3;;;;