3,7-bis(chloranyl)-2,8-dinitro-phenoxathiine

Systemtic Name: 3,7-bis(chloranyl)-2,8-dinitro-phenoxathiine Openeye Name: 3,7-dichloro-2,8-dinitro-phenoxathiine CAS Name: 3,7-dichloro-2,8-dinitrophenoxathiine IUPAC Name: 3,7-dichloro-2,8-dinitrophenoxathiine Traditional Name: 3,7-dichloro-2,8-dinitro-phenoxathiine Formula: C12H4Cl2N2O5S MolecularWeight: 359.14156

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1SC3=C(O2)C=C(C(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC2=C1SC3=C(O2)C=C(C(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H4Cl2N2O5S/c13-5-1-9-11(3-7(5)15(17)18)22-12-4-8(16(19)20)6(14)2-10(12)21-9/h1-4H