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

Systemtic Name: 4-iodosyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-iodosyl-2,5-dioctadecyl-benzene-1,3-dicarboxylic acid CAS Name: 4-iodosyl-2,5-dioctadecylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-iodosyl-2,5-dioctadecylbenzene-1,3-dicarboxylic acid Traditional Name: 4-iodosyl-2,5-distearyl-isophthalic acid Formula: C44H77IO5 MolecularWeight: 812.98365

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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

Isomeric SMILES

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

InChI

InChI=1S/C44H77IO5/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)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)