bis(6-methylheptyl) 3-iodanylbenzene-1,2-dicarboxylate

Systemtic Name: bis(6-methylheptyl) 3-iodanylbenzene-1,2-dicarboxylate Openeye Name: bis(6-methylheptyl) 3-iodobenzene-1,2-dicarboxylate CAS Name: 3-iodobenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester IUPAC Name: bis(6-methylheptyl) 3-iodobenzene-1,2-dicarboxylate Traditional Name: 3-iodobenzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester Formula: C24H37IO4 MolecularWeight: 516.45265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C(=CC=C1)I)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C(=CC=C1)I)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C24H37IO4/c1-18(2)12-7-5-9-16-28-23(26)20-14-11-15-21(25)22(20)24(27)29-17-10-6-8-13-19(3)4/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3