2-methyl-1,5-dinitro-3-phenylsulfanyl-benzene

Systemtic Name: 2-methyl-1,5-dinitro-3-phenylsulfanyl-benzene Openeye Name: 2-methyl-1,5-dinitro-3-phenylsulfanyl-benzene CAS Name: 2-methyl-1,5-dinitro-3-(phenylthio)benzene IUPAC Name: 2-methyl-1,5-dinitro-3-phenylsulfanylbenzene Traditional Name: 2-methyl-1,5-dinitro-3-(phenylthio)benzene Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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