1,9-dimethyl-4,6-dinitro-thianthrene

Systemtic Name: 1,9-dimethyl-4,6-dinitro-thianthrene Openeye Name: 1,9-dimethyl-4,6-dinitro-thianthrene CAS Name: 1,9-dimethyl-4,6-dinitrothianthrene IUPAC Name: 1,9-dimethyl-4,6-dinitrothianthrene Traditional Name: 1,9-dimethyl-4,6-dinitro-thianthrene Formula: C14H10N2O4S2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C=CC(=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C=CC(=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4S2/c1-7-3-5-9(15(17)18)13-11(7)21-12-8(2)4-6-10(16(19)20)14(12)22-13/h3-6H,1-2H3