4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dinitro-phenol

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dinitro-phenol Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dinitro-phenol CAS Name: 4-(1,3-benzothiazol-2-ylthio)-2,6-dinitrophenol IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,6-dinitrophenol Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-2,6-dinitro-phenol Formula: C13H7N3O5S2 MolecularWeight: 349.34178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7N3O5S2/c17-12-9(15(18)19)5-7(6-10(12)16(20)21)22-13-14-8-3-1-2-4-11(8)23-13/h1-6,17H