(6-chloranyl-2-phenyl-chromen-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)azanium tetrafluoroborate

Systemtic Name: (6-chloranyl-2-phenyl-chromen-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)azanium tetrafluoroborate Openeye Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)ammonium tetrafluoroborate CAS Name: (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)ammonium tetrafluoroborate IUPAC Name: (6-chloro-2-phenylchromen-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)azanium tetrafluoroborate Traditional Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(6-nitro-1,3-benzothiazol-2-yl)ammonium tetrafluoroborate Formula: C22H13BClF4N3O3S MolecularWeight: 521.679533

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(O2)C=CC(=C5)Cl

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(O2)C=CC(=C5)Cl

InChI

InChI=1S/C22H12ClN3O3S.BF4/c23-14-6-9-19-16(10-14)18(12-20(29-19)13-4-2-1-3-5-13)25-22-24-17-8-7-15(26(27)28)11-21(17)30-22;2-1(3,4)5/h1-12H;/q;-1/p+1