(E)-6-(2,4-dinitrophenyl)sulfanyl-2-oxidanyl-hex-1-ene-1-diazonium

Systemtic Name: (E)-6-(2,4-dinitrophenyl)sulfanyl-2-oxidanyl-hex-1-ene-1-diazonium Openeye Name: (E)-6-(2,4-dinitrophenyl)sulfanyl-2-hydroxy-hex-1-ene-1-diazonium CAS Name: (E)-6-[(2,4-dinitrophenyl)thio]-2-hydroxy-1-hexene-1-diazonium IUPAC Name: (E)-6-(2,4-dinitrophenyl)sulfanyl-2-hydroxyhex-1-ene-1-diazonium Traditional Name: (E)-6-[(2,4-dinitrophenyl)thio]-2-hydroxy-hex-1-ene-1-diazonium Formula: C12H13N4O5S+ MolecularWeight: 325.32042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCCC(=C[N+]#N)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O5S/c13-14-8-10(17)3-1-2-6-22-12-5-4-9(15(18)19)7-11(12)16(20)21/h4-5,7-8H,1-3,6H2/p+1/b10-8+