(Z,5R)-5-cyclohexyl-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-1-prop-2-enoxy-pent-1-en-1-olate

Systemtic Name: (Z,5R)-5-cyclohexyl-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-1-prop-2-enoxy-pent-1-en-1-olate Openeye Name: (Z,5R)-1-allyloxy-5-cyclohexyl-2-diazonio-3-oxo-5-[[(S)-p-tolylsulfinyl]amino]pent-1-en-1-olate CAS Name: (Z,5R)-5-cyclohexyl-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxy-1-penten-1-olate IUPAC Name: (Z,5R)-5-cyclohexyl-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxypent-1-en-1-olate Traditional Name: (Z,5R)-1-allyloxy-5-cyclohexyl-2-diazonio-3-keto-5-[[(S)-p-tolylsulfinyl]amino]pent-1-en-1-olate Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(CC(=O)C(=C([O-])OCC=C)[N+]#N)C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@H](CC(=O)/C(=C(\[O-])/OCC=C)/[N+]#N)C2CCCCC2

InChI

InChI=1S/C21H27N3O4S/c1-3-13-28-21(26)20(23-22)19(25)14-18(16-7-5-4-6-8-16)24-29(27)17-11-9-15(2)10-12-17/h3,9-12,16,18,24H,1,4-8,13-14H2,2H3/t18-,29+/m1/s1