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

Systemtic Name: (Z,3S,4S)-3-methyl-2-oxidanyl-4-phenylsulfanyl-non-1-ene-1-diazonium Openeye Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-phenylsulfanyl-non-1-ene-1-diazonium CAS Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-(phenylthio)-1-nonene-1-diazonium IUPAC Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-phenylsulfanylnon-1-ene-1-diazonium Traditional Name: (Z,3S,4S)-2-hydroxy-3-methyl-4-(phenylthio)non-1-ene-1-diazonium Formula: C16H23N2OS+ MolecularWeight: 291.43162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2OS/c1-3-4-6-11-16(13(2)15(19)12-18-17)20-14-9-7-5-8-10-14/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/p+1/b15-12-/t13-,16-/m0/s1