2-iodyl-3-octadecoxy-benzoic acid

Systemtic Name: 2-iodyl-3-octadecoxy-benzoic acid Openeye Name: 2-iodyl-3-octadecoxy-benzoic acid CAS Name: 2-iodyl-3-octadecoxybenzoic acid IUPAC Name: 2-iodyl-3-octadecoxybenzoic acid Traditional Name: 2-iodyl-3-stearyloxy-benzoic acid Formula: C25H41IO5 MolecularWeight: 548.49451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1I(=O)=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1I(=O)=O)C(=O)O

InChI

InChI=1S/C25H41IO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-23-20-18-19-22(25(27)28)24(23)26(29)30/h18-20H,2-17,21H2,1H3,(H,27,28)