7-[4-[3,5-bis(chloranyl)phenyl]-2-ethyl-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[4-[3,5-bis(chloranyl)phenyl]-2-ethyl-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-4-(3,5-dichlorophenyl)-2-ethyl-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[4-(3,5-dichlorophenyl)-2-ethyl-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[4-(3,5-dichlorophenyl)-2-ethyl-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-4-(3,5-dichlorophenyl)-2-ethyl-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C30H33Cl2NO2 MolecularWeight: 510.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC(=CC(=C2)Cl)Cl)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC(=CC(=C2)Cl)Cl)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C30H33Cl2NO2/c1-4-23-17-27(24-15-25(31)18-26(32)16-24)29(35-20-22-11-7-5-8-12-22)19-28(23)34-14-10-6-9-13-30(2,3)21-33/h5,7-8,11-12,15-19H,4,6,9-10,13-14,20H2,1-3H3