2-bromanyl-4-nitro-6-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenolate Openeye Name: 2-bromo-4-nitro-6-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]phenolate CAS Name: 2-bromo-4-nitro-6-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenolate Traditional Name: 2-bromo-6-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]-4-nitro-phenolate Formula: C15H7BrNO4S- MolecularWeight: 377.18938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])/S2

InChI

InChI=1S/C15H8BrNO4S/c16-11-7-9(17(20)21)5-8(14(11)18)6-13-15(19)10-3-1-2-4-12(10)22-13/h1-7,18H/p-1/b13-6+