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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20INO3/c1-3-15(18)7-10-17(9-5-4-6-12-20)11-8-16(19(21)22)13-14(17)2/h8,11,13-15,20H,3-4,6,12H2,1-2H3