(Z,5R)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-1-oxidanyl-3-oxidanylidene-5-phenyl-1-prop-2-enoxy-pent-1-ene-2-diazonium

Systemtic Name: (Z,5R)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-1-oxidanyl-3-oxidanylidene-5-phenyl-1-prop-2-enoxy-pent-1-ene-2-diazonium Openeye Name: (Z,5R)-1-allyloxy-1-hydroxy-3-oxo-5-phenyl-5-[[(S)-p-tolylsulfinyl]amino]pent-1-ene-2-diazonium CAS Name: (Z,5R)-1-hydroxy-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-5-phenyl-1-prop-2-enoxy-1-pentene-2-diazonium IUPAC Name: (Z,5R)-1-hydroxy-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-5-phenyl-1-prop-2-enoxypent-1-ene-2-diazonium Traditional Name: (Z,5R)-1-allyloxy-1-hydroxy-3-keto-5-phenyl-5-[[(S)-p-tolylsulfinyl]amino]pent-1-ene-2-diazonium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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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)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@H](CC(=O)/C(=C(\O)/OCC=C)/[N+]#N)C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O4S/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/h3-12,18,24H,1,13-14H2,2H3/p+1/t18-,29+/m1/s1