4-(4-chloranylpentan-2-yloxy)benzoic acid; 4-phenylbenzenecarbonitrile

Systemtic Name: 4-(4-chloranylpentan-2-yloxy)benzoic acid; 4-phenylbenzenecarbonitrile Openeye Name: 4-(3-chloro-1-methyl-butoxy)benzoic acid; 4-phenylbenzonitrile CAS Name: 4-(4-chloropentan-2-yloxy)benzoic acid; 4-phenylbenzonitrile IUPAC Name: 4-(4-chloropentan-2-yloxy)benzoic acid; 4-phenylbenzonitrile Traditional Name: 4-(3-chloro-1-methyl-butoxy)benzoic acid; 4-phenylbenzonitrile Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N.C12H15ClO3/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-8(13)7-9(2)16-11-5-3-10(4-6-11)12(14)15/h1-9H;3-6,8-9H,7H2,1-2H3,(H,14,15)