4-[(4-chloranyl-2-methyl-6-phenethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 4-[(4-chloranyl-2-methyl-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(4-chloro-2-methyl-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(4-chloro-2-methyl-6-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(4-chloro-2-methyl-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(4-chloro-2-methyl-6-phenethyl-phenoxy)methyl]benzoic acid Formula: C23H21ClO3 MolecularWeight: 380.86404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClO3/c1-16-13-21(24)14-20(12-7-17-5-3-2-4-6-17)22(16)27-15-18-8-10-19(11-9-18)23(25)26/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26)