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

Systemtic Name: 2-[(S)-(3-bromophenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-[(S)-(3-bromophenyl)-(2-hydroxy-4-oxo-thiochromen-3-yl)methyl]-3-oxo-inden-1-olate CAS Name: 2-[(S)-(3-bromophenyl)-(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)methyl]-3-oxo-1-indenolate IUPAC Name: 2-[(S)-(3-bromophenyl)-(2-hydroxy-4-oxothiochromen-3-yl)methyl]-3-oxoinden-1-olate Traditional Name: 2-[(S)-(3-bromophenyl)-(2-hydroxy-4-keto-thiochromen-3-yl)methyl]-3-keto-inden-1-olate Formula: C25H14BrO4S- MolecularWeight: 490.34526

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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/p-1/t19-/m0/s1