4-[4-(4-chloranylpentan-2-yloxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(4-chloranylpentan-2-yloxy)phenyl]benzoic acid Openeye Name: 4-[4-(3-chloro-1-methyl-butoxy)phenyl]benzoic acid CAS Name: 4-[4-(4-chloropentan-2-yloxy)phenyl]benzoic acid IUPAC Name: 4-[4-(4-chloropentan-2-yloxy)phenyl]benzoic acid Traditional Name: 4-[4-(3-chloro-1-methyl-butoxy)phenyl]benzoic acid Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CC(C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H19ClO3/c1-12(19)11-13(2)22-17-9-7-15(8-10-17)14-3-5-16(6-4-14)18(20)21/h3-10,12-13H,11H2,1-2H3,(H,20,21)