5-[2-(3-carboxy-5-methyl-4-oxidanyl-phenyl)propan-2-yl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-carboxy-5-methyl-4-oxidanyl-phenyl)propan-2-yl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-4-hydroxy-5-methyl-phenyl)-1-methyl-ethyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[2-(3-carboxy-4-hydroxy-5-methylphenyl)propan-2-yl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[2-(3-carboxy-4-hydroxy-5-methylphenyl)propan-2-yl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[1-(3-carboxy-4-hydroxy-5-methyl-phenyl)-1-methyl-ethyl]-2-hydroxy-3-methyl-benzoic acid Formula: C19H20O6 MolecularWeight: 344.3585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O6/c1-9-5-11(7-13(15(9)20)17(22)23)19(3,4)12-6-10(2)16(21)14(8-12)18(24)25/h5-8,20-21H,1-4H3,(H,22,23)(H,24,25)