2-iodyl-3,5-dioctadecyl-benzoic acid

Systemtic Name: 2-iodyl-3,5-dioctadecyl-benzoic acid Openeye Name: 2-iodyl-3,5-dioctadecyl-benzoic acid CAS Name: 2-iodyl-3,5-dioctadecylbenzoic acid IUPAC Name: 2-iodyl-3,5-dioctadecylbenzoic acid Traditional Name: 2-iodyl-3,5-distearyl-benzoic acid Formula: C43H77IO4 MolecularWeight: 784.97355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H77IO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-40(42(44(47)48)41(38-39)43(45)46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,45,46)