6-[2-(hydroxymethyl)-4-methyl-6-oxidanyl-phenoxy]-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid

Systemtic Name: 6-[2-(hydroxymethyl)-4-methyl-6-oxidanyl-phenoxy]-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid Openeye Name: 6-[2-hydroxy-6-(hydroxymethyl)-4-methyl-phenoxy]-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid CAS Name: 6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid IUPAC Name: 6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid Traditional Name: 6-(2-hydroxy-4-methyl-6-methylol-phenoxy)-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)OC)OC)C(=O)O)CO

Isomeric SMILES

CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)OC)OC)C(=O)O)CO

InChI

InChI=1S/C22H28O7/c1-12(2)8-18(27-4)15-6-7-17(19(22(25)26)21(15)28-5)29-20-14(11-23)9-13(3)10-16(20)24/h6-7,9-10,12,18,23-24H,8,11H2,1-5H3,(H,25,26)