(4,4-dimethoxy-1-nitro-butan-2-yl)sulfanylmethylbenzene

Systemtic Name: (4,4-dimethoxy-1-nitro-butan-2-yl)sulfanylmethylbenzene Openeye Name: [3,3-dimethoxy-1-(nitromethyl)propyl]sulfanylmethylbenzene CAS Name: [(4,4-dimethoxy-1-nitrobutan-2-yl)thio]methylbenzene IUPAC Name: (4,4-dimethoxy-1-nitrobutan-2-yl)sulfanylmethylbenzene Traditional Name: [[3,3-dimethoxy-1-(nitromethyl)propyl]thio]methylbenzene Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(C[N+](=O)[O-])SCC1=CC=CC=C1)OC

Isomeric SMILES

COC(CC(C[N+](=O)[O-])SCC1=CC=CC=C1)OC

InChI

InChI=1S/C13H19NO4S/c1-17-13(18-2)8-12(9-14(15)16)19-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3