4-[4-[4,5-bis(oxidanyl)pentoxymethyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4,5-bis(oxidanyl)pentoxymethyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-(4,5-dihydroxypentoxymethyl)phenyl]benzonitrile CAS Name: 4-[4-(4,5-dihydroxypentoxymethyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4,5-dihydroxypentoxymethyl)phenyl]benzonitrile Traditional Name: 4-[4-(4,5-dihydroxypentoxymethyl)phenyl]benzonitrile Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCCCC(CO)O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1COCCCC(CO)O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21NO3/c20-12-15-3-7-17(8-4-15)18-9-5-16(6-10-18)14-23-11-1-2-19(22)13-21/h3-10,19,21-22H,1-2,11,13-14H2