4-iodyl-2,5,6-trioctadecyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 4-iodyl-2,5,6-trioctadecyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-iodyl-2,5,6-trioctadecyl-benzene-1,3-dicarboxylic acid CAS Name: 4-iodyl-2,5,6-trioctadecylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-iodyl-2,5,6-trioctadecylbenzene-1,3-dicarboxylic acid Traditional Name: 4-iodyl-2,5,6-tristearyl-isophthalic acid Formula: C62H113IO6 MolecularWeight: 1081.46149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O)I(=O)=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O)I(=O)=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C62H113IO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-56(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(63(68)69)59(62(66)67)57(58(55)61(64)65)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3,(H,64,65)(H,66,67)