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

Systemtic Name: 3-methyl-5-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 3-methyl-5-[4-methyl-2-[3-(p-tolyl)prop-2-ynoxy]phenoxy]benzoic acid CAS Name: 3-methyl-5-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 3-methyl-5-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 3-methyl-5-[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(=C3)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CCOC2=C(C=CC(=C2)C)OC3=CC(=CC(=C3)C)C(=O)O

InChI

InChI=1S/C25H22O4/c1-17-6-9-20(10-7-17)5-4-12-28-24-15-18(2)8-11-23(24)29-22-14-19(3)13-21(16-22)25(26)27/h6-11,13-16H,12H2,1-3H3,(H,26,27)