(10-methyl-10-oxidanyl-dodec-11-ynyl) 2-iodanylbenzoate

Systemtic Name: (10-methyl-10-oxidanyl-dodec-11-ynyl) 2-iodanylbenzoate Openeye Name: (10-hydroxy-10-methyl-dodec-11-ynyl) 2-iodobenzoate CAS Name: 2-iodobenzoic acid (10-hydroxy-10-methyldodec-11-ynyl) ester IUPAC Name: (10-hydroxy-10-methyldodec-11-ynyl) 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (10-hydroxy-10-methyl-dodec-11-ynyl) ester Formula: C20H27IO3 MolecularWeight: 442.33105

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCOC(=O)C1=CC=CC=C1I)(C#C)O

Isomeric SMILES

CC(CCCCCCCCCOC(=O)C1=CC=CC=C1I)(C#C)O

InChI

InChI=1S/C20H27IO3/c1-3-20(2,23)15-11-7-5-4-6-8-12-16-24-19(22)17-13-9-10-14-18(17)21/h1,9-10,13-14,23H,4-8,11-12,15-16H2,2H3