1-ethynyl-2,5-dihexyl-4-iodanyl-benzene

Systemtic Name: 1-ethynyl-2,5-dihexyl-4-iodanyl-benzene Openeye Name: 1-ethynyl-2,5-dihexyl-4-iodo-benzene CAS Name: 1-ethynyl-2,5-dihexyl-4-iodobenzene IUPAC Name: 1-ethynyl-2,5-dihexyl-4-iodobenzene Traditional Name: 1-ethynyl-2,5-dihexyl-4-iodo-benzene Formula: C20H29I MolecularWeight: 396.34873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29I/c1-4-7-9-11-13-18-16-20(21)19(15-17(18)6-3)14-12-10-8-5-2/h3,15-16H,4-5,7-14H2,1-2H3