1-bromanyl-4-(but-3-enoyloxymethyl)-2-methoxy-4-oxidanyl-cyclobut-2-ene-1-carboxylic acid

Systemtic Name: 1-bromanyl-4-(but-3-enoyloxymethyl)-2-methoxy-4-oxidanyl-cyclobut-2-ene-1-carboxylic acid Openeye Name: 1-bromo-4-(but-3-enoyloxymethyl)-4-hydroxy-2-methoxy-cyclobut-2-ene-1-carboxylic acid CAS Name: 1-bromo-4-hydroxy-2-methoxy-4-(1-oxobut-3-enoxymethyl)-1-cyclobut-2-enecarboxylic acid IUPAC Name: 1-bromo-4-(but-3-enoyloxymethyl)-4-hydroxy-2-methoxycyclobut-2-ene-1-carboxylic acid Traditional Name: 1-bromo-4-(but-3-enoyloxymethyl)-4-hydroxy-2-methoxy-cyclobut-2-ene-1-carboxylic acid Formula: C11H13BrO6 MolecularWeight: 321.12132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C1(C(=O)O)Br)(COC(=O)CC=C)O

Isomeric SMILES

COC1=CC(C1(C(=O)O)Br)(COC(=O)CC=C)O

InChI

InChI=1S/C11H13BrO6/c1-3-4-8(13)18-6-10(16)5-7(17-2)11(10,12)9(14)15/h3,5,16H,1,4,6H2,2H3,(H,14,15)