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

Systemtic Name: 3-[(3-nitrophenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]-2-oxidanyl-thiochromen-4-one Openeye Name: 2-hydroxy-3-[(2-hydroxy-4-oxo-thiochromen-3-yl)-(3-nitrophenyl)methyl]thiochromen-4-one CAS Name: 2-hydroxy-3-[(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)-(3-nitrophenyl)methyl]-1-benzothiopyran-4-one IUPAC Name: 2-hydroxy-3-[(2-hydroxy-4-oxothiochromen-3-yl)-(3-nitrophenyl)methyl]thiochromen-4-one Traditional Name: 2-hydroxy-3-[(2-hydroxy-4-keto-thiochromen-3-yl)-(3-nitrophenyl)methyl]thiochromen-4-one Formula: C25H15NO6S2 MolecularWeight: 489.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(SC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(SC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H15NO6S2/c27-22-15-8-1-3-10-17(15)33-24(29)20(22)19(13-6-5-7-14(12-13)26(31)32)21-23(28)16-9-2-4-11-18(16)34-25(21)30/h1-12,19,29-30H