3-[(4-bromophenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-2-oxidanyl-thiochromen-4-one

Systemtic Name: 3-[(4-bromophenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-2-oxidanyl-thiochromen-4-one Openeye Name: 3-[(4-bromophenyl)-(2-hydroxy-4-oxo-thiochromen-3-yl)methyl]-2-hydroxy-thiochromen-4-one CAS Name: 3-[(4-bromophenyl)-(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)methyl]-2-hydroxy-1-benzothiopyran-4-one IUPAC Name: 3-[(4-bromophenyl)-(2-hydroxy-4-oxothiochromen-3-yl)methyl]-2-hydroxythiochromen-4-one Traditional Name: 3-[(4-bromophenyl)-(2-hydroxy-4-keto-thiochromen-3-yl)methyl]-2-hydroxy-thiochromen-4-one Formula: C25H15BrO4S2 MolecularWeight: 523.4182

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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)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)Br)C4=C(SC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H15BrO4S2/c26-14-11-9-13(10-12-14)19(20-22(27)15-5-1-3-7-17(15)31-24(20)29)21-23(28)16-6-2-4-8-18(16)32-25(21)30/h1-12,19,29-30H