4-[3-[3-chloranyl-4-(3,3-dimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]benzoic acid

Systemtic Name: 4-[3-[3-chloranyl-4-(3,3-dimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]benzoic acid Openeye Name: 4-[1-[3-chloro-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]-1-ethyl-propyl]benzoic acid CAS Name: 4-[3-[3-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]benzoic acid IUPAC Name: 4-[3-[3-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]benzoic acid Traditional Name: 4-[1-[3-chloro-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]-1-ethyl-propyl]benzoic acid Formula: C24H31ClO4 MolecularWeight: 418.95354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)Cl

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)Cl

InChI

InChI=1S/C24H31ClO4/c1-6-24(7-2,17-10-8-16(9-11-17)22(27)28)18-12-13-20(19(25)14-18)29-15-21(26)23(3,4)5/h8-14,21,26H,6-7,15H2,1-5H3,(H,27,28)