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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzoate IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzoate Formula: C14H7N2O4S2- MolecularWeight: 331.34638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O4S2/c17-13(18)8-5-6-12(10(7-8)16(19)20)22-14-15-9-3-1-2-4-11(9)21-14/h1-7H,(H,17,18)/p-1