2-[3-bromanyl-4-(5-cyclohexylthiophen-3-yl)phenyl]-2-methyl-4,5-bis(oxidanyl)furan-3-one

Systemtic Name: 2-[3-bromanyl-4-(5-cyclohexylthiophen-3-yl)phenyl]-2-methyl-4,5-bis(oxidanyl)furan-3-one Openeye Name: 2-[3-bromo-4-(5-cyclohexyl-3-thienyl)phenyl]-4,5-dihydroxy-2-methyl-furan-3-one CAS Name: 2-[3-bromo-4-(5-cyclohexyl-3-thiophenyl)phenyl]-4,5-dihydroxy-2-methyl-3-furanone IUPAC Name: 2-[3-bromo-4-(5-cyclohexylthiophen-3-yl)phenyl]-4,5-dihydroxy-2-methylfuran-3-one Traditional Name: 2-[3-bromo-4-(5-cyclohexyl-3-thienyl)phenyl]-4,5-dihydroxy-2-methyl-furan-3-one Formula: C21H21BrO4S MolecularWeight: 449.35804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)O)O)C2=CC(=C(C=C2)C3=CSC(=C3)C4CCCCC4)Br

Isomeric SMILES

CC1(C(=O)C(=C(O1)O)O)C2=CC(=C(C=C2)C3=CSC(=C3)C4CCCCC4)Br

InChI

InChI=1S/C21H21BrO4S/c1-21(19(24)18(23)20(25)26-21)14-7-8-15(16(22)10-14)13-9-17(27-11-13)12-5-3-2-4-6-12/h7-12,23,25H,2-6H2,1H3