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

Systemtic Name: 2-methyl-3-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 2-methyl-3-[4-methyl-2-[3-(p-tolyl)prop-2-ynoxy]phenoxy]benzoic acid CAS Name: 2-methyl-3-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 2-methyl-3-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 2-methyl-3-[4-methyl-2-[3-(p-tolyl)prop-2-ynoxy]phenoxy]benzoic acid Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCOC2=C(C=CC(=C2)C)OC3=CC=CC(=C3C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CCOC2=C(C=CC(=C2)C)OC3=CC=CC(=C3C)C(=O)O

InChI

InChI=1S/C25H22O4/c1-17-9-12-20(13-10-17)6-5-15-28-24-16-18(2)11-14-23(24)29-22-8-4-7-21(19(22)3)25(26)27/h4,7-14,16H,15H2,1-3H3,(H,26,27)