4-[6-(hydroxymethyl)pyren-1-yl]benzenecarbonitrile

Systemtic Name: 4-[6-(hydroxymethyl)pyren-1-yl]benzenecarbonitrile Openeye Name: 4-[6-(hydroxymethyl)pyren-1-yl]benzonitrile CAS Name: 4-[6-(hydroxymethyl)-1-pyrenyl]benzonitrile IUPAC Name: 4-[6-(hydroxymethyl)pyren-1-yl]benzonitrile Traditional Name: 4-(6-methylolpyren-1-yl)benzonitrile Formula: C24H15NO MolecularWeight: 333.382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3)C5=CC=C(C=C5)C#N)CO

Isomeric SMILES

C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3)C5=CC=C(C=C5)C#N)CO

InChI

InChI=1S/C24H15NO/c25-13-15-1-3-16(4-2-15)20-10-7-18-8-11-21-19(14-26)6-5-17-9-12-22(20)24(18)23(17)21/h1-12,26H,14H2