6-[[2,5-bis(bromanyl)thiophen-3-yl]-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2,5-bis(bromanyl)thiophen-3-yl]-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2,5-dibromo-3-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(2,5-dibromo-3-thiophenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2,5-dibromothiophen-3-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2,5-dibromo-3-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid Formula: C12H12Br2O3S MolecularWeight: 396.09488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(C2=C(SC(=C2)Br)Br)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(C2=C(SC(=C2)Br)Br)O)C(=O)O

InChI

InChI=1S/C12H12Br2O3S/c13-9-5-8(11(14)18-9)10(15)6-3-1-2-4-7(6)12(16)17/h1-2,5-7,10,15H,3-4H2,(H,16,17)