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

Systemtic Name: 2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-(4-phenoxyphenyl)ethanoic acid Openeye Name: 2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-(4-phenoxyphenyl)acetic acid CAS Name: 2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-(4-phenoxyphenyl)acetic acid IUPAC Name: 2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-(4-phenoxyphenyl)acetic acid Traditional Name: 2-(4-methylol-2,6-dipropyl-phenoxy)-2-(4-phenoxyphenyl)acetic acid Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)CCC)CO

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)CCC)CO

InChI

InChI=1S/C27H30O5/c1-3-8-21-16-19(18-28)17-22(9-4-2)25(21)32-26(27(29)30)20-12-14-24(15-13-20)31-23-10-6-5-7-11-23/h5-7,10-17,26,28H,3-4,8-9,18H2,1-2H3,(H,29,30)