2-(2-chloranyl-4-nitro-phenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-(2-chloro-4-nitro-phenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[(2-chloro-4-nitrophenyl)thio]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-(2-chloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thio]-1,3-benzothiazole-5-carboxylic acid Formula: C14H7ClN2O4S2 MolecularWeight: 366.79938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H7ClN2O4S2/c15-9-6-8(17(20)21)2-4-11(9)22-14-16-10-5-7(13(18)19)1-3-12(10)23-14/h1-6H,(H,18,19)