[(E)-4-phenylsulfanylhex-4-en-3-yl] nitrate

Systemtic Name: [(E)-4-phenylsulfanylhex-4-en-3-yl] nitrate Openeye Name: [(E)-1-ethyl-2-phenylsulfanyl-but-2-enyl] nitrate CAS Name: nitric acid [(E)-4-(phenylthio)hex-4-en-3-yl] ester IUPAC Name: [(E)-4-phenylsulfanylhex-4-en-3-yl] nitrate Traditional Name: nitric acid [(E)-1-ethyl-2-(phenylthio)but-2-enyl] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=CC)SC1=CC=CC=C1)O[N+](=O)[O-]

Isomeric SMILES

CCC(/C(=C\C)/SC1=CC=CC=C1)O[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-3-11(16-13(14)15)12(4-2)17-10-8-6-5-7-9-10/h4-9,11H,3H2,1-2H3/b12-4+