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4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonic acid

4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonic acid

Systemtic Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonic acid
Openeye Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonic acid
CAS Name:4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzenesulfonic acid
IUPAC Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzenesulfonic acid
Traditional Name:4-(1,3-benzothiazol-2-ylthio)-3-nitro-besylic acid
Formula: C13H8N2O5S3
MolecularWeight: 368.40802
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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)


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