2-[2,6-bis(chloranyl)-4-nitro-phenyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-[2,6-bis(chloranyl)-4-nitro-phenyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-(2,6-dichloro-4-nitro-phenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[(2,6-dichloro-4-nitrophenyl)thio]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-(2,6-dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[(2,6-dichloro-4-nitro-phenyl)thio]-1,3-benzothiazole-5-carboxylic acid Formula: C14H6Cl2N2O4S2 MolecularWeight: 401.24444

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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=C3Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)SC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H6Cl2N2O4S2/c15-8-4-7(18(21)22)5-9(16)12(8)24-14-17-10-3-6(13(19)20)1-2-11(10)23-14/h1-5H,(H,19,20)