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

Systemtic Name: 6-[2-(hydroxymethyl)-6-methoxy-phenoxy]-2-methoxy-3-(3-methyl-1-oxidanyl-butyl)benzoic acid Openeye Name: 3-(1-hydroxy-3-methyl-butyl)-6-[2-(hydroxymethyl)-6-methoxy-phenoxy]-2-methoxy-benzoic acid CAS Name: 3-(1-hydroxy-3-methylbutyl)-6-[2-(hydroxymethyl)-6-methoxyphenoxy]-2-methoxybenzoic acid IUPAC Name: 3-(1-hydroxy-3-methylbutyl)-6-[2-(hydroxymethyl)-6-methoxyphenoxy]-2-methoxybenzoic acid Traditional Name: 3-(1-hydroxy-3-methyl-butyl)-2-methoxy-6-(2-methoxy-6-methylol-phenoxy)benzoic acid Formula: C21H26O7 MolecularWeight: 390.42694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C(=C(C=C1)OC2=C(C=CC=C2OC)CO)C(=O)O)OC)O

Isomeric SMILES

CC(C)CC(C1=C(C(=C(C=C1)OC2=C(C=CC=C2OC)CO)C(=O)O)OC)O

InChI

InChI=1S/C21H26O7/c1-12(2)10-15(23)14-8-9-16(18(21(24)25)20(14)27-4)28-19-13(11-22)6-5-7-17(19)26-3/h5-9,12,15,22-23H,10-11H2,1-4H3,(H,24,25)