3-(2,5-dihexyl-4-iodanyl-phenyl)prop-2-yn-1-ol

Systemtic Name: 3-(2,5-dihexyl-4-iodanyl-phenyl)prop-2-yn-1-ol Openeye Name: 3-(2,5-dihexyl-4-iodo-phenyl)prop-2-yn-1-ol CAS Name: 3-(2,5-dihexyl-4-iodophenyl)-2-propyn-1-ol IUPAC Name: 3-(2,5-dihexyl-4-iodophenyl)prop-2-yn-1-ol Traditional Name: 3-(2,5-dihexyl-4-iodo-phenyl)prop-2-yn-1-ol Formula: C21H31IO MolecularWeight: 426.37471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1C#CCO)CCCCCC)I

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1C#CCO)CCCCCC)I

InChI

InChI=1S/C21H31IO/c1-3-5-7-9-12-19-17-21(22)20(13-10-8-6-4-2)16-18(19)14-11-15-23/h16-17,23H,3-10,12-13,15H2,1-2H3