4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonate

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzenesulfonate IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzenesulfonate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-besylate Formula: C13H7N2O5S3- MolecularWeight: 367.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S3/c16-15(17)10-7-8(23(18,19)20)5-6-12(10)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H,(H,18,19,20)/p-1