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2,4-bis(2-butyl-6-iodanyl-phenyl)benzene-1,3-dicarboxylate

2,4-bis(2-butyl-6-iodanyl-phenyl)benzene-1,3-dicarboxylate

Systemtic Name:2,4-bis(2-butyl-6-iodanyl-phenyl)benzene-1,3-dicarboxylate
Openeye Name:2,4-bis(2-butyl-6-iodo-phenyl)benzene-1,3-dicarboxylate
CAS Name:2,4-bis(2-butyl-6-iodophenyl)benzene-1,3-dicarboxylate
IUPAC Name:2,4-bis(2-butyl-6-iodophenyl)benzene-1,3-dicarboxylate
Traditional Name:2,4-bis(2-butyl-6-iodo-phenyl)isophthalate
Formula: C28H26I2O4-2
MolecularWeight: 680.31258
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)I)C2=C(C(=C(C=C2)C(=O)[O-])C3=C(C=CC=C3I)CCCC)C(=O)[O-]


Isomeric SMILES

CCCCC1=C(C(=CC=C1)I)C2=C(C(=C(C=C2)C(=O)[O-])C3=C(C=CC=C3I)CCCC)C(=O)[O-]


InChI

InChI=1S/C28H28I2O4/c1-3-5-9-17-11-7-13-21(29)23(17)19-15-16-20(27(31)32)25(26(19)28(33)34)24-18(10-6-4-2)12-8-14-22(24)30/h7-8,11-16H,3-6,9-10H2,1-2H3,(H,31,32)(H,33,34)/p-2


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