2-methyl-1,3-dinitro-4-phenylsulfanyl-benzene

Systemtic Name: 2-methyl-1,3-dinitro-4-phenylsulfanyl-benzene Openeye Name: 2-methyl-1,3-dinitro-4-phenylsulfanyl-benzene CAS Name: 2-methyl-1,3-dinitro-4-(phenylthio)benzene IUPAC Name: 2-methyl-1,3-dinitro-4-phenylsulfanylbenzene Traditional Name: 2-methyl-1,3-dinitro-4-(phenylthio)benzene Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4S/c1-9-11(14(16)17)7-8-12(13(9)15(18)19)20-10-5-3-2-4-6-10/h2-8H,1H3