3-[(3-bromanyl-4-fluoranyl-phenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-2-oxidanyl-thiochromen-4-one

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-2-oxidanyl-thiochromen-4-one Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)-(2-hydroxy-4-oxo-thiochromen-3-yl)methyl]-2-hydroxy-thiochromen-4-one CAS Name: 3-[(3-bromo-4-fluorophenyl)-(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)methyl]-2-hydroxy-1-benzothiopyran-4-one IUPAC Name: 3-[(3-bromo-4-fluorophenyl)-(2-hydroxy-4-oxothiochromen-3-yl)methyl]-2-hydroxythiochromen-4-one Traditional Name: 3-[(3-bromo-4-fluoro-phenyl)-(2-hydroxy-4-keto-thiochromen-3-yl)methyl]-2-hydroxy-thiochromen-4-one Formula: C25H14BrFO4S2 MolecularWeight: 541.408663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)C(C3=CC(=C(C=C3)F)Br)C4=C(SC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)C(C3=CC(=C(C=C3)F)Br)C4=C(SC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H14BrFO4S2/c26-15-11-12(9-10-16(15)27)19(20-22(28)13-5-1-3-7-17(13)32-24(20)30)21-23(29)14-6-2-4-8-18(14)33-25(21)31/h1-11,19,30-31H