1,9-bis(chloranyl)-3,7-dimethyl-2,8-dinitro-phenoxathiine

Systemtic Name: 1,9-bis(chloranyl)-3,7-dimethyl-2,8-dinitro-phenoxathiine Openeye Name: 1,9-dichloro-3,7-dimethyl-2,8-dinitro-phenoxathiine CAS Name: 1,9-dichloro-3,7-dimethyl-2,8-dinitrophenoxathiine IUPAC Name: 1,9-dichloro-3,7-dimethyl-2,8-dinitrophenoxathiine Traditional Name: 1,9-dichloro-3,7-dimethyl-2,8-dinitro-phenoxathiine Formula: C14H8Cl2N2O5S MolecularWeight: 387.19472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1[N+](=O)[O-])Cl)SC3=C(O2)C=C(C(=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C(=C1[N+](=O)[O-])Cl)SC3=C(O2)C=C(C(=C3Cl)[N+](=O)[O-])C

InChI

InChI=1S/C14H8Cl2N2O5S/c1-5-3-7-13(9(15)11(5)17(19)20)24-14-8(23-7)4-6(2)12(10(14)16)18(21)22/h3-4H,1-2H3