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

Systemtic Name: (Z,5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-1-oxidanyl-3-oxidanylidene-1-prop-2-enoxy-undec-1-ene-2-diazonium Openeye Name: (Z,5S)-1-allyloxy-1-hydroxy-3-oxo-5-[[(S)-p-tolylsulfinyl]amino]undec-1-ene-2-diazonium CAS Name: (Z,5S)-1-hydroxy-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxy-1-undecene-2-diazonium IUPAC Name: (Z,5S)-1-hydroxy-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxyundec-1-ene-2-diazonium Traditional Name: (Z,5S)-1-allyloxy-1-hydroxy-3-keto-5-[[(S)-p-tolylsulfinyl]amino]undec-1-ene-2-diazonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)C(=C(O)OCC=C)[N+]#N)NS(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-4-6-7-8-9-17(24-29(27)18-12-10-16(3)11-13-18)15-19(25)20(23-22)21(26)28-14-5-2/h5,10-13,17,24H,2,4,6-9,14-15H2,1,3H3/p+1/t17-,29-/m0/s1