2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-(3-methylphenyl)ethanoic acid

Systemtic Name: 2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-(3-methylphenyl)ethanoic acid Openeye Name: 2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-(m-tolyl)acetic acid CAS Name: 2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-(3-methylphenyl)acetic acid IUPAC Name: 2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-(3-methylphenyl)acetic acid Traditional Name: 2-(4-methylol-2,6-dipropyl-phenoxy)-2-(m-tolyl)acetic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC=CC(=C2)C)C(=O)O)CCC)CO

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC=CC(=C2)C)C(=O)O)CCC)CO

InChI

InChI=1S/C22H28O4/c1-4-7-17-12-16(14-23)13-18(8-5-2)20(17)26-21(22(24)25)19-10-6-9-15(3)11-19/h6,9-13,21,23H,4-5,7-8,14H2,1-3H3,(H,24,25)