5-[2-(5-iodanylpent-1-ynyl)-3-methyl-5-nitro-phenyl]pent-4-yn-1-ol

Systemtic Name: 5-[2-(5-iodanylpent-1-ynyl)-3-methyl-5-nitro-phenyl]pent-4-yn-1-ol Openeye Name: 5-[2-(5-iodopent-1-ynyl)-3-methyl-5-nitro-phenyl]pent-4-yn-1-ol CAS Name: 5-[2-(5-iodopent-1-ynyl)-3-methyl-5-nitrophenyl]-4-pentyn-1-ol IUPAC Name: 5-[2-(5-iodopent-1-ynyl)-3-methyl-5-nitrophenyl]pent-4-yn-1-ol Traditional Name: 5-[2-(5-iodopent-1-ynyl)-3-methyl-5-nitro-phenyl]pent-4-yn-1-ol Formula: C17H18INO3 MolecularWeight: 411.23419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C#CCCCO)C#CCCCI

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C#CCCCO)C#CCCCI

InChI

InChI=1S/C17H18INO3/c1-14-12-16(19(21)22)13-15(8-4-3-7-11-20)17(14)9-5-2-6-10-18/h12-13,20H,2-3,6-7,10-11H2,1H3