3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid Openeye Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid CAS Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]-5-methylbenzoic acid IUPAC Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]-5-methylbenzoic acid Traditional Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-5-methyl-benzoic acid Formula: C24H19ClO4 MolecularWeight: 406.85826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClO4/c1-16-5-10-22(29-21-13-17(2)12-19(15-21)24(26)27)23(14-16)28-11-3-4-18-6-8-20(25)9-7-18/h5-10,12-15H,11H2,1-2H3,(H,26,27)