5-[6-(5-iodanylpent-1-ynyl)-6-methyl-3-nitro-cyclohexa-2,4-dien-1-yl]pent-4-yn-1-ol

Systemtic Name: 5-[6-(5-iodanylpent-1-ynyl)-6-methyl-3-nitro-cyclohexa-2,4-dien-1-yl]pent-4-yn-1-ol Openeye Name: 5-[6-(5-iodopent-1-ynyl)-6-methyl-3-nitro-cyclohexa-2,4-dien-1-yl]pent-4-yn-1-ol CAS Name: 5-[6-(5-iodopent-1-ynyl)-6-methyl-3-nitro-1-cyclohexa-2,4-dienyl]-4-pentyn-1-ol IUPAC Name: 5-[6-(5-iodopent-1-ynyl)-6-methyl-3-nitrocyclohexa-2,4-dien-1-yl]pent-4-yn-1-ol Traditional Name: 5-[6-(5-iodopent-1-ynyl)-6-methyl-3-nitro-cyclohexa-2,4-dien-1-yl]pent-4-yn-1-ol Formula: C17H20INO3 MolecularWeight: 413.25007

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=CC1C#CCCCO)[N+](=O)[O-])C#CCCCI

Isomeric SMILES

CC1(C=CC(=CC1C#CCCCO)[N+](=O)[O-])C#CCCCI

InChI

InChI=1S/C17H20INO3/c1-17(10-5-3-6-12-18)11-9-16(19(21)22)14-15(17)8-4-2-7-13-20/h9,11,14-15,20H,2-3,6-7,12-13H2,1H3