2-methyl-6-[3-methyl-5-oxidanyl-4-[2,3,4-tris(oxidanyl)butoxycarbonyl]phenoxy]-4-oxidanyl-benzoic acid

Systemtic Name: 2-methyl-6-[3-methyl-5-oxidanyl-4-[2,3,4-tris(oxidanyl)butoxycarbonyl]phenoxy]-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-2-[3-hydroxy-5-methyl-4-(2,3,4-trihydroxybutoxycarbonyl)phenoxy]-6-methyl-benzoic acid CAS Name: 4-hydroxy-2-[3-hydroxy-5-methyl-4-[oxo(2,3,4-trihydroxybutoxy)methyl]phenoxy]-6-methylbenzoic acid IUPAC Name: 4-hydroxy-2-[3-hydroxy-5-methyl-4-(2,3,4-trihydroxybutoxycarbonyl)phenoxy]-6-methylbenzoic acid Traditional Name: 4-hydroxy-2-[3-hydroxy-5-methyl-4-(2,3,4-trihydroxybutoxycarbonyl)phenoxy]-6-methyl-benzoic acid Formula: C20H22O10 MolecularWeight: 422.38268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)OC2=CC(=C(C(=C2)C)C(=O)OCC(C(CO)O)O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)OC2=CC(=C(C(=C2)C)C(=O)OCC(C(CO)O)O)O)O

InChI

InChI=1S/C20H22O10/c1-9-3-11(22)5-16(18(9)19(26)27)30-12-4-10(2)17(13(23)6-12)20(28)29-8-15(25)14(24)7-21/h3-6,14-15,21-25H,7-8H2,1-2H3,(H,26,27)