6-iodanyl-2,2-dimethyl-5-oxidanyl-7-pentyl-3,4-dihydrochromene-3-carbonitrile

Systemtic Name: 6-iodanyl-2,2-dimethyl-5-oxidanyl-7-pentyl-3,4-dihydrochromene-3-carbonitrile Openeye Name: 5-hydroxy-6-iodo-2,2-dimethyl-7-pentyl-chromane-3-carbonitrile CAS Name: 5-hydroxy-6-iodo-2,2-dimethyl-7-pentyl-3,4-dihydro-2H-1-benzopyran-3-carbonitrile IUPAC Name: 5-hydroxy-6-iodo-2,2-dimethyl-7-pentyl-3,4-dihydrochromene-3-carbonitrile Traditional Name: 7-amyl-5-hydroxy-6-iodo-2,2-dimethyl-chroman-3-carbonitrile Formula: C17H22INO2 MolecularWeight: 399.26655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(CC(C(O2)(C)C)C#N)C(=C1I)O

Isomeric SMILES

CCCCCC1=CC2=C(CC(C(O2)(C)C)C#N)C(=C1I)O

InChI

InChI=1S/C17H22INO2/c1-4-5-6-7-11-8-14-13(16(20)15(11)18)9-12(10-19)17(2,3)21-14/h8,12,20H,4-7,9H2,1-3H3