2-iodosyl-1,3,5-trimethyl-benzene dibenzoate

Systemtic Name: 2-iodosyl-1,3,5-trimethyl-benzene dibenzoate Openeye Name: 2-iodosyl-1,3,5-trimethyl-benzene dibenzoate CAS Name: 2-iodosyl-1,3,5-trimethylbenzene dibenzoate IUPAC Name: 2-iodosyl-1,3,5-trimethylbenzene dibenzoate Traditional Name: 2-iodosyl-1,3,5-trimethyl-benzene dibenzoate Formula: C23H21IO5-2 MolecularWeight: 504.31431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)I=O)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)I=O)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H11IO.2C7H6O2/c1-6-4-7(2)9(10-11)8(3)5-6;2*8-7(9)6-4-2-1-3-5-6/h4-5H,1-3H3;2*1-5H,(H,8,9)/p-2