1-nitro-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene

Systemtic Name: 1-nitro-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene Openeye Name: 1-(1-allylsulfanyl-2-nitro-ethyl)-4-nitro-benzene CAS Name: 1-nitro-4-[2-nitro-1-(prop-2-enylthio)ethyl]benzene IUPAC Name: 1-nitro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene Traditional Name: 1-[1-(allylthio)-2-nitro-ethyl]-4-nitro-benzene Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(C[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C=CCSC(C[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-2-7-18-11(8-12(14)15)9-3-5-10(6-4-9)13(16)17/h2-6,11H,1,7-8H2