4-[(1S,3S)-1,3-bis(oxidanyl)octyl]benzenecarbonitrile

Systemtic Name: 4-[(1S,3S)-1,3-bis(oxidanyl)octyl]benzenecarbonitrile Openeye Name: 4-[(1S,3S)-1,3-dihydroxyoctyl]benzonitrile CAS Name: 4-[(1S,3S)-1,3-dihydroxyoctyl]benzonitrile IUPAC Name: 4-[(1S,3S)-1,3-dihydroxyoctyl]benzonitrile Traditional Name: 4-[(1S,3S)-1,3-dihydroxyoctyl]benzonitrile Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(C1=CC=C(C=C1)C#N)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-2-3-4-5-14(17)10-15(18)13-8-6-12(11-16)7-9-13/h6-9,14-15,17-18H,2-5,10H2,1H3/t14-,15-/m0/s1