4-[oxidanyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[oxidanyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methyl]benzonitrile CAS Name: 4-[hydroxy-(1,2,3,4,5-pentamethyl-1-cyclopenta-2,4-dienyl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methyl]benzonitrile Formula: C18H21NO MolecularWeight: 267.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C1C)C)(C)C(C2=CC=C(C=C2)C#N)O)C

Isomeric SMILES

CC1=C(C(C(=C1C)C)(C)C(C2=CC=C(C=C2)C#N)O)C

InChI

InChI=1S/C18H21NO/c1-11-12(2)14(4)18(5,13(11)3)17(20)16-8-6-15(10-19)7-9-16/h6-9,17,20H,1-5H3