O1-butyl O2-(2,2-dimethylpropyl) 3-iodanylbenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(2,2-dimethylpropyl) 3-iodanylbenzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2,2-dimethylpropyl) 3-iodobenzene-1,2-dicarboxylate CAS Name: 3-iodobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,2-dimethylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2,2-dimethylpropyl) 3-iodobenzene-1,2-dicarboxylate Traditional Name: 3-iodobenzene-1,2-dicarboxylic acid O1-butyl ester O2-neopentyl ester Formula: C17H23IO4 MolecularWeight: 418.26659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC=C1)I)C(=O)OCC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC=C1)I)C(=O)OCC(C)(C)C

InChI

InChI=1S/C17H23IO4/c1-5-6-10-21-15(19)12-8-7-9-13(18)14(12)16(20)22-11-17(2,3)4/h7-9H,5-6,10-11H2,1-4H3