4-[(1S)-7-bromanyl-1-oxidanyl-heptyl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-7-bromanyl-1-oxidanyl-heptyl]benzenecarbonitrile Openeye Name: 4-[(1S)-7-bromo-1-hydroxy-heptyl]benzonitrile CAS Name: 4-[(1S)-7-bromo-1-hydroxyheptyl]benzonitrile IUPAC Name: 4-[(1S)-7-bromo-1-hydroxyheptyl]benzonitrile Traditional Name: 4-[(1S)-7-bromo-1-hydroxy-heptyl]benzonitrile Formula: C14H18BrNO MolecularWeight: 296.20282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CCCCCCBr)O

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@H](CCCCCCBr)O

InChI

InChI=1S/C14H18BrNO/c15-10-4-2-1-3-5-14(17)13-8-6-12(11-16)7-9-13/h6-9,14,17H,1-5,10H2/t14-/m0/s1