5-nitro-6-phenylsulfanyl-1,3-benzodioxole

Systemtic Name: 5-nitro-6-phenylsulfanyl-1,3-benzodioxole Openeye Name: 5-nitro-6-phenylsulfanyl-1,3-benzodioxole CAS Name: 5-nitro-6-(phenylthio)-1,3-benzodioxole IUPAC Name: 5-nitro-6-phenylsulfanyl-1,3-benzodioxole Traditional Name: 5-nitro-6-(phenylthio)-1,3-benzodioxole Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C13H9NO4S/c15-14(16)10-6-11-12(18-8-17-11)7-13(10)19-9-4-2-1-3-5-9/h1-7H,8H2