7-(2-ethyl-4-methanoyl-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(2-ethyl-4-methanoyl-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-ethyl-4-formyl-5-hydroxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-4-formyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-4-formyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-ethyl-4-formyl-5-hydroxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c1-4-14-10-15(12-20)16(21)11-17(14)22-9-7-5-6-8-18(2,3)13-19/h10-12,21H,4-9H2,1-3H3