5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-2-furoic acid Formula: C14H12NO3S+ MolecularWeight: 274.31498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C14H11NO3S/c1-9-15(11-4-2-3-5-13(11)19-9)8-10-6-7-12(18-10)14(16)17/h2-7H,8H2,1H3/p+1