3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)aniline

Systemtic Name: 3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)aniline Openeye Name: 3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)aniline CAS Name: 3-nitro-2-[2-nitro-6-(propylthio)phenyl]aniline IUPAC Name: 3-nitro-2-(2-nitro-6-propylsulfanylphenyl)aniline Traditional Name: [3-nitro-2-[2-nitro-6-(propylthio)phenyl]phenyl]amine Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4S/c1-2-9-23-13-8-4-7-12(18(21)22)15(13)14-10(16)5-3-6-11(14)17(19)20/h3-8H,2,9,16H2,1H3