(Z)-6-(4-morpholin-4-ylsulfonylphenyl)-4-oxidanyl-2-oxidanylidene-hex-3-ene-3-diazonium

Systemtic Name: (Z)-6-(4-morpholin-4-ylsulfonylphenyl)-4-oxidanyl-2-oxidanylidene-hex-3-ene-3-diazonium Openeye Name: (Z)-4-hydroxy-6-(4-morpholinosulfonylphenyl)-2-oxo-hex-3-ene-3-diazonium CAS Name: (Z)-4-hydroxy-6-[4-(4-morpholinylsulfonyl)phenyl]-2-oxo-3-hexene-3-diazonium IUPAC Name: (Z)-4-hydroxy-6-(4-morpholin-4-ylsulfonylphenyl)-2-oxohex-3-ene-3-diazonium Traditional Name: (Z)-4-hydroxy-2-keto-6-(4-morpholinosulfonylphenyl)hex-3-ene-3-diazonium Formula: C16H20N3O5S+ MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/O)/[N+]#N

InChI

InChI=1S/C16H19N3O5S/c1-12(20)16(18-17)15(21)7-4-13-2-5-14(6-3-13)25(22,23)19-8-10-24-11-9-19/h2-3,5-6H,4,7-11H2,1H3/p+1