(Z,3S,4S)-3-methyl-2-oxidanyl-4-phenylsulfanyl-oct-1-ene-1-diazonium

Systemtic Name: (Z,3S,4S)-3-methyl-2-oxidanyl-4-phenylsulfanyl-oct-1-ene-1-diazonium Openeye Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-phenylsulfanyl-oct-1-ene-1-diazonium CAS Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-(phenylthio)-1-octene-1-diazonium IUPAC Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-phenylsulfanyloct-1-ene-1-diazonium Traditional Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-(phenylthio)oct-1-ene-1-diazonium Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C(=C[N+]#N)O)SC1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H]([C@@H](C)/C(=C/[N+]#N)/O)SC1=CC=CC=C1

InChI

InChI=1S/C15H20N2OS/c1-3-4-10-15(12(2)14(18)11-17-16)19-13-8-6-5-7-9-13/h5-9,11-12,15H,3-4,10H2,1-2H3/p+1/b14-11-/t12-,15-/m0/s1