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

Systemtic Name: 1-bromanyl-2-methoxy-4-oxidanyl-4-(pent-4-enoyloxymethyl)cyclobut-2-ene-1-carboxylic acid Openeye Name: 1-bromo-4-hydroxy-2-methoxy-4-(pent-4-enoyloxymethyl)cyclobut-2-ene-1-carboxylic acid CAS Name: 1-bromo-4-hydroxy-2-methoxy-4-(1-oxopent-4-enoxymethyl)-1-cyclobut-2-enecarboxylic acid IUPAC Name: 1-bromo-4-hydroxy-2-methoxy-4-(pent-4-enoyloxymethyl)cyclobut-2-ene-1-carboxylic acid Traditional Name: 1-bromo-4-hydroxy-2-methoxy-4-(pent-4-enoyloxymethyl)cyclobut-2-ene-1-carboxylic acid Formula: C12H15BrO6 MolecularWeight: 335.1479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrO6/c1-3-4-5-9(14)19-7-11(17)6-8(18-2)12(11,13)10(15)16/h3,6,17H,1,4-5,7H2,2H3,(H,15,16)