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

Systemtic Name: (Z,5S)-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-1-prop-2-enoxy-undec-1-en-1-olate Openeye Name: (Z,5S)-1-allyloxy-2-diazonio-3-oxo-5-[[(S)-p-tolylsulfinyl]amino]undec-1-en-1-olate CAS Name: (Z,5S)-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxy-1-undecen-1-olate IUPAC Name: (Z,5S)-2-diazonio-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxyundec-1-en-1-olate Traditional Name: (Z,5S)-1-allyloxy-2-diazonio-3-keto-5-[[(S)-p-tolylsulfinyl]amino]undec-1-en-1-olate Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

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/t17-,29-/m0/s1