methyl 3-(3-methylbut-2-enoyl)-4,5-bis(oxidanyl)benzoate

Systemtic Name: methyl 3-(3-methylbut-2-enoyl)-4,5-bis(oxidanyl)benzoate Openeye Name: methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate CAS Name: 3,4-dihydroxy-5-(3-methyl-1-oxobut-2-enyl)benzoic acid methyl ester IUPAC Name: methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate Traditional Name: 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid methyl ester Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c1-7(2)4-10(14)9-5-8(13(17)18-3)6-11(15)12(9)16/h4-6,15-16H,1-3H3