2-(2-iodyl-3,4,5,6-tetraoctyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-iodyl-3,4,5,6-tetraoctyl-phenyl)ethanoic acid Openeye Name: 2-(2-iodyl-3,4,5,6-tetraoctyl-phenyl)acetic acid CAS Name: 2-(2-iodyl-3,4,5,6-tetraoctylphenyl)acetic acid IUPAC Name: 2-(2-iodyl-3,4,5,6-tetraoctylphenyl)acetic acid Traditional Name: 2-(2-iodyl-3,4,5,6-tetraoctyl-phenyl)acetic acid Formula: C40H71IO4 MolecularWeight: 742.89381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)CCCCCCCC)I(=O)=O)CC(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)CCCCCCCC)I(=O)=O)CC(=O)O)CCCCCCCC

InChI

InChI=1S/C40H71IO4/c1-5-9-13-17-21-25-29-34-35(30-26-22-18-14-10-6-2)37(32-28-24-20-16-12-8-4)40(41(44)45)38(33-39(42)43)36(34)31-27-23-19-15-11-7-3/h5-33H2,1-4H3,(H,42,43)