4-[1,4-bis(oxidanyl)pent-2-ynyl]benzenecarbonitrile

Systemtic Name: 4-[1,4-bis(oxidanyl)pent-2-ynyl]benzenecarbonitrile Openeye Name: 4-(1,4-dihydroxypent-2-ynyl)benzonitrile CAS Name: 4-(1,4-dihydroxypent-2-ynyl)benzonitrile IUPAC Name: 4-(1,4-dihydroxypent-2-ynyl)benzonitrile Traditional Name: 4-(1,4-dihydroxypent-2-ynyl)benzonitrile Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-9(14)2-7-12(15)11-5-3-10(8-13)4-6-11/h3-6,9,12,14-15H,1H3