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4-[2-[8-(hydroxymethyl)pyren-1-yl]ethyl]benzenecarbonitrile

4-[2-[8-(hydroxymethyl)pyren-1-yl]ethyl]benzenecarbonitrile

Systemtic Name:4-[2-[8-(hydroxymethyl)pyren-1-yl]ethyl]benzenecarbonitrile
Openeye Name:4-[2-[8-(hydroxymethyl)pyren-1-yl]ethyl]benzonitrile
CAS Name:4-[2-[8-(hydroxymethyl)-1-pyrenyl]ethyl]benzonitrile
IUPAC Name:4-[2-[8-(hydroxymethyl)pyren-1-yl]ethyl]benzonitrile
Traditional Name:4-[2-(8-methylolpyren-1-yl)ethyl]benzonitrile
Formula: C26H19NO
MolecularWeight: 361.43516
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2)CO)C=CC4=C(C=CC1=C43)CCC5=CC=C(C=C5)C#N


Isomeric SMILES

C1=CC2=C3C(=C(C=C2)CO)C=CC4=C(C=CC1=C43)CCC5=CC=C(C=C5)C#N


InChI

InChI=1S/C26H19NO/c27-15-18-3-1-17(2-4-18)5-6-19-7-8-20-9-10-21-11-12-22(16-28)24-14-13-23(19)25(20)26(21)24/h1-4,7-14,28H,5-6,16H2


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