[(E)-3-phenylsulfanylhex-3-en-2-yl] nitrate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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