6-(2-methanoyl-4-methyl-6-oxidanyl-phenoxy)-2-methoxy-3-(3-methyl-1-oxidanyl-butyl)benzoic acid

Systemtic Name: 6-(2-methanoyl-4-methyl-6-oxidanyl-phenoxy)-2-methoxy-3-(3-methyl-1-oxidanyl-butyl)benzoic acid Openeye Name: 6-(2-formyl-6-hydroxy-4-methyl-phenoxy)-3-(1-hydroxy-3-methyl-butyl)-2-methoxy-benzoic acid CAS Name: 6-(2-formyl-6-hydroxy-4-methylphenoxy)-3-(1-hydroxy-3-methylbutyl)-2-methoxybenzoic acid IUPAC Name: 6-(2-formyl-6-hydroxy-4-methylphenoxy)-3-(1-hydroxy-3-methylbutyl)-2-methoxybenzoic acid Traditional Name: 6-(2-formyl-6-hydroxy-4-methyl-phenoxy)-3-(1-hydroxy-3-methyl-butyl)-2-methoxy-benzoic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O7/c1-11(2)7-15(23)14-5-6-17(18(21(25)26)20(14)27-4)28-19-13(10-22)8-12(3)9-16(19)24/h5-6,8-11,15,23-24H,7H2,1-4H3,(H,25,26)