2-[(2-bromanyl-4-nitro-phenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]indene-1,3-dione

Systemtic Name: 2-[(2-bromanyl-4-nitro-phenyl)-(2-oxidanyl-4-oxidanylidene-thiochromen-3-yl)methyl]indene-1,3-dione Openeye Name: 2-[(2-bromo-4-nitro-phenyl)-(2-hydroxy-4-oxo-thiochromen-3-yl)methyl]indane-1,3-dione CAS Name: 2-[(2-bromo-4-nitrophenyl)-(2-hydroxy-4-oxo-1-benzothiopyran-3-yl)methyl]indene-1,3-dione IUPAC Name: 2-[(2-bromo-4-nitrophenyl)-(2-hydroxy-4-oxothiochromen-3-yl)methyl]indene-1,3-dione Traditional Name: 2-[(2-bromo-4-nitro-phenyl)-(2-hydroxy-4-keto-thiochromen-3-yl)methyl]indane-1,3-quinone Formula: C25H14BrNO6S MolecularWeight: 536.35076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=C(SC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=C(SC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H14BrNO6S/c26-17-11-12(27(32)33)9-10-15(17)19(20-22(28)13-5-1-2-6-14(13)23(20)29)21-24(30)16-7-3-4-8-18(16)34-25(21)31/h1-11,19-20,31H