2-iodyl-3-octadecanoyl-benzoic acid

Systemtic Name: 2-iodyl-3-octadecanoyl-benzoic acid Openeye Name: 2-iodyl-3-octadecanoyl-benzoic acid CAS Name: 2-iodyl-3-(1-oxooctadecyl)benzoic acid IUPAC Name: 2-iodyl-3-octadecanoylbenzoic acid Traditional Name: 2-iodyl-3-stearoyl-benzoic acid Formula: C25H39IO5 MolecularWeight: 546.47863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39IO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)21-18-17-19-22(25(28)29)24(21)26(30)31/h17-19H,2-16,20H2,1H3,(H,28,29)