3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]benzoic acid

Systemtic Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]benzoic acid Openeye Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]benzoic acid CAS Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]benzoic acid IUPAC Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]benzoic acid Traditional Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]benzoic acid Formula: C23H17ClO4 MolecularWeight: 392.83168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC(=C2)C(=O)O)OCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC(=C2)C(=O)O)OCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H17ClO4/c1-16-7-12-21(28-20-6-2-5-18(15-20)23(25)26)22(14-16)27-13-3-4-17-8-10-19(24)11-9-17/h2,5-12,14-15H,13H2,1H3,(H,25,26)