3-[(S)-(3-bromophenyl)-(1-oxidanyl-3-oxidanylidene-inden-2-yl)methyl]-2-oxidanyl-thiochromen-4-one

Systemtic Name: 3-[(S)-(3-bromophenyl)-(1-oxidanyl-3-oxidanylidene-inden-2-yl)methyl]-2-oxidanyl-thiochromen-4-one Openeye Name: 3-[(S)-(3-bromophenyl)-(1-hydroxy-3-oxo-inden-2-yl)methyl]-2-hydroxy-thiochromen-4-one CAS Name: 3-[(S)-(3-bromophenyl)-(1-hydroxy-3-oxo-2-indenyl)methyl]-2-hydroxy-1-benzothiopyran-4-one IUPAC Name: 3-[(S)-(3-bromophenyl)-(1-hydroxy-3-oxoinden-2-yl)methyl]-2-hydroxythiochromen-4-one Traditional Name: 3-[(S)-(3-bromophenyl)-(1-hydroxy-3-keto-inden-2-yl)methyl]-2-hydroxy-thiochromen-4-one Formula: C25H15BrO4S MolecularWeight: 491.3532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C2=O)C(C3=CC(=CC=C3)Br)C4=C(SC5=CC=CC=C5C4=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C2=O)[C@H](C3=CC(=CC=C3)Br)C4=C(SC5=CC=CC=C5C4=O)O)O

InChI

InChI=1S/C25H15BrO4S/c26-14-7-5-6-13(12-14)19(20-22(27)15-8-1-2-9-16(15)23(20)28)21-24(29)17-10-3-4-11-18(17)31-25(21)30/h1-12,19,27,30H/t19-/m0/s1