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

Systemtic Name: O1-butyl O2-(2-methylpropyl) 3-iodanylbenzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-isobutyl 3-iodobenzene-1,2-dicarboxylate CAS Name: 3-iodobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-methylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2-methylpropyl) 3-iodobenzene-1,2-dicarboxylate Traditional Name: 3-iodobenzene-1,2-dicarboxylic acid O1-butyl ester O2-isobutyl ester Formula: C16H21IO4 MolecularWeight: 404.24001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21IO4/c1-4-5-9-20-15(18)12-7-6-8-13(17)14(12)16(19)21-10-11(2)3/h6-8,11H,4-5,9-10H2,1-3H3