9-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-nonanenitrile

Systemtic Name: 9-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-nonanenitrile Openeye Name: 9-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-nonanenitrile CAS Name: 9-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylnonanenitrile IUPAC Name: 9-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylnonanenitrile Traditional Name: 9-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-pelargononitrile Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCCC(C)(C)C#N

InChI

InChI=1S/C21H31NO3/c1-5-17-13-18(16(2)23)19(24)14-20(17)25-12-10-8-6-7-9-11-21(3,4)15-22/h13-14,24H,5-12H2,1-4H3