4-[4-(2-chloranyl-4-methyl-phenoxy)phenoxy]-2,2-dimethyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 4-[4-(2-chloranyl-4-methyl-phenoxy)phenoxy]-2,2-dimethyl-3-oxidanylidene-hexanenitrile Openeye Name: 4-[4-(2-chloro-4-methyl-phenoxy)phenoxy]-2,2-dimethyl-3-oxo-hexanenitrile CAS Name: 4-[4-(2-chloro-4-methylphenoxy)phenoxy]-2,2-dimethyl-3-oxohexanenitrile IUPAC Name: 4-[4-(2-chloro-4-methylphenoxy)phenoxy]-2,2-dimethyl-3-oxohexanenitrile Traditional Name: 4-[4-(2-chloro-4-methyl-phenoxy)phenoxy]-3-keto-2,2-dimethyl-hexanenitrile Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C)(C)C#N)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)Cl

Isomeric SMILES

CCC(C(=O)C(C)(C)C#N)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C21H22ClNO3/c1-5-18(20(24)21(3,4)13-23)25-15-7-9-16(10-8-15)26-19-11-6-14(2)12-17(19)22/h6-12,18H,5H2,1-4H3