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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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