(4S,5S)-4-methyl-5-nitro-4-phenylsulfanyl-hexan-3-one

Systemtic Name: (4S,5S)-4-methyl-5-nitro-4-phenylsulfanyl-hexan-3-one Openeye Name: (4S,5S)-4-methyl-5-nitro-4-phenylsulfanyl-hexan-3-one CAS Name: (4S,5S)-4-methyl-5-nitro-4-(phenylthio)-3-hexanone IUPAC Name: (4S,5S)-4-methyl-5-nitro-4-phenylsulfanylhexan-3-one Traditional Name: (4S,5S)-4-methyl-5-nitro-4-(phenylthio)hexan-3-one Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-4-12(15)13(3,10(2)14(16)17)18-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/t10-,13-/m0/s1