1,4-dimethoxy-2-(1-methoxy-2-nitro-ethyl)-5-propylsulfanyl-benzene

Systemtic Name: 1,4-dimethoxy-2-(1-methoxy-2-nitro-ethyl)-5-propylsulfanyl-benzene Openeye Name: 1,4-dimethoxy-2-(1-methoxy-2-nitro-ethyl)-5-propylsulfanyl-benzene CAS Name: 1,4-dimethoxy-2-(1-methoxy-2-nitroethyl)-5-(propylthio)benzene IUPAC Name: 1,4-dimethoxy-2-(1-methoxy-2-nitroethyl)-5-propylsulfanylbenzene Traditional Name: 1,4-dimethoxy-2-(1-methoxy-2-nitro-ethyl)-5-(propylthio)benzene Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C(=C1)OC)C(C[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCSC1=C(C=C(C(=C1)OC)C(C[N+](=O)[O-])OC)OC

InChI

InChI=1S/C14H21NO5S/c1-5-6-21-14-8-11(18-2)10(7-12(14)19-3)13(20-4)9-15(16)17/h7-8,13H,5-6,9H2,1-4H3