3-(3-methylbut-2-enoyl)-4,5-bis(oxidanyl)benzoic acid

Systemtic Name: 3-(3-methylbut-2-enoyl)-4,5-bis(oxidanyl)benzoic acid Openeye Name: 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid CAS Name: 3,4-dihydroxy-5-(3-methyl-1-oxobut-2-enyl)benzoic acid IUPAC Name: 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid Traditional Name: 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(C(=CC(=C1)C(=O)O)O)O)C

Isomeric SMILES

CC(=CC(=O)C1=C(C(=CC(=C1)C(=O)O)O)O)C

InChI

InChI=1S/C12H12O5/c1-6(2)3-9(13)8-4-7(12(16)17)5-10(14)11(8)15/h3-5,14-15H,1-2H3,(H,16,17)