3-[1-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 3-[1-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-[2-hydroxy-1-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]-2-oxo-ethyl]benzoic acid CAS Name: 3-[2-hydroxy-1-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-oxoethyl]benzoic acid IUPAC Name: 3-[2-hydroxy-1-[4-(hydroxymethyl)-2,6-dipropylphenoxy]-2-oxoethyl]benzoic acid Traditional Name: 3-[2-hydroxy-2-keto-1-(4-methylol-2,6-dipropyl-phenoxy)ethyl]benzoic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O6/c1-3-6-15-10-14(13-23)11-16(7-4-2)19(15)28-20(22(26)27)17-8-5-9-18(12-17)21(24)25/h5,8-12,20,23H,3-4,6-7,13H2,1-2H3,(H,24,25)(H,26,27)