5-[1-(3-carboxy-5-methyl-4-oxidanyl-phenyl)-4-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[1-(3-carboxy-5-methyl-4-oxidanyl-phenyl)-4-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-4-hydroxy-5-methyl-phenyl)-4-hydroxy-4-oxo-butyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[1-(3-carboxy-4-hydroxy-5-methylphenyl)-4-hydroxy-4-oxobutyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[1-(3-carboxy-4-hydroxy-5-methylphenyl)-4-hydroxy-4-oxobutyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[1-(3-carboxy-4-hydroxy-5-methyl-phenyl)-4-hydroxy-4-keto-butyl]-2-hydroxy-3-methyl-benzoic acid Formula: C20H20O8 MolecularWeight: 388.368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CCC(=O)O)C2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(CCC(=O)O)C2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O

InChI

InChI=1S/C20H20O8/c1-9-5-11(7-14(17(9)23)19(25)26)13(3-4-16(21)22)12-6-10(2)18(24)15(8-12)20(27)28/h5-8,13,23-24H,3-4H2,1-2H3,(H,21,22)(H,25,26)(H,27,28)