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

Systemtic Name: 1-methoxy-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene Openeye Name: 1-(1-allylsulfanyl-2-nitro-ethyl)-4-methoxy-benzene CAS Name: 1-methoxy-4-[2-nitro-1-(prop-2-enylthio)ethyl]benzene IUPAC Name: 1-methoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene Traditional Name: 1-[1-(allylthio)-2-nitro-ethyl]-4-methoxy-benzene Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC=C

InChI

InChI=1S/C12H15NO3S/c1-3-8-17-12(9-13(14)15)10-4-6-11(16-2)7-5-10/h3-7,12H,1,8-9H2,2H3