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

Systemtic Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-2-methyl-benzoic acid Openeye Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-2-methyl-benzoic acid CAS Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]-2-methylbenzoic acid IUPAC Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methylphenoxy]-2-methylbenzoic acid Traditional Name: 3-[2-[3-(4-chlorophenyl)prop-2-ynoxy]-4-methyl-phenoxy]-2-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(=C2C)C(=O)O)OCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC(=C2C)C(=O)O)OCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H19ClO4/c1-16-8-13-22(29-21-7-3-6-20(17(21)2)24(26)27)23(15-16)28-14-4-5-18-9-11-19(25)12-10-18/h3,6-13,15H,14H2,1-2H3,(H,26,27)