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4-iodyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid

4-iodyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid

Systemtic Name:4-iodyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid
Openeye Name:4-iodyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid
CAS Name:4-iodyl-2,5-dioctadecylbenzene-1,3-dicarboxylic acid
IUPAC Name:4-iodyl-2,5-dioctadecylbenzene-1,3-dicarboxylic acid
Traditional Name:4-iodyl-2,5-distearyl-isophthalic acid
Formula: C44H77IO6
MolecularWeight: 828.98305
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O)I(=O)=O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O)I(=O)=O


InChI

InChI=1S/C44H77IO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(43(46)47)39(41(44(48)49)42(38)45(50)51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,46,47)(H,48,49)


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