5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)furan-2-carbaldehyde

Systemtic Name: 5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)furan-2-carbaldehyde Openeye Name: 5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)furan-2-carbaldehyde CAS Name: 5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-furancarboxaldehyde IUPAC Name: 5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)furan-2-carbaldehyde Traditional Name: 5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)furfural Formula: C26H20N2O4S2+2 MolecularWeight: 488.578

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(O3)C=O.C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(O3)C=O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(O3)C=O.C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(O3)C=O

InChI

InChI=1S/2C13H10NO2S/c2*1-14-10-4-2-3-5-12(10)17-13(14)11-7-6-9(8-15)16-11/h2*2-8H,1H3/q2*+1