2-iodosyl-3,4,5,6-tetraoctyl-benzoic acid

Systemtic Name: 2-iodosyl-3,4,5,6-tetraoctyl-benzoic acid Openeye Name: 2-iodosyl-3,4,5,6-tetraoctyl-benzoic acid CAS Name: 2-iodosyl-3,4,5,6-tetraoctylbenzoic acid IUPAC Name: 2-iodosyl-3,4,5,6-tetraoctylbenzoic acid Traditional Name: 2-iodosyl-3,4,5,6-tetraoctyl-benzoic acid Formula: C39H69IO3 MolecularWeight: 712.86783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H69IO3/c1-5-9-13-17-21-25-29-33-34(30-26-22-18-14-10-6-2)36(32-28-24-20-16-12-8-4)38(40-43)37(39(41)42)35(33)31-27-23-19-15-11-7-3/h5-32H2,1-4H3,(H,41,42)