2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylol-2,6-dipropyl-phenoxy)acetic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)CO

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)CO

InChI

InChI=1S/C22H26O6/c1-3-5-15-9-14(12-23)10-16(6-4-2)20(15)28-21(22(24)25)17-7-8-18-19(11-17)27-13-26-18/h7-11,21,23H,3-6,12-13H2,1-2H3,(H,24,25)