(5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-oxidanyl-1-oxidanylidene-icosa-5,8,12,14-tetraen-9-olate

Systemtic Name: (5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-oxidanyl-1-oxidanylidene-icosa-5,8,12,14-tetraen-9-olate Openeye Name: (5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-hydroxy-1-oxo-icosa-5,8,12,14-tetraen-9-olate CAS Name: (5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-hydroxy-1-oxo-9-eicosa-5,8,12,14-tetraenolate IUPAC Name: (5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-hydroxy-1-oxoicosa-5,8,12,14-tetraen-9-olate Traditional Name: (5Z,8E,12E,14E)-8-diazonio-1-ethoxy-11-hydroxy-1-keto-eicosa-5,8,12,14-tetraen-9-olate Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(CC(=C(CC=CCCCC(=O)OCC)[N+]#N)[O-])O

Isomeric SMILES

CCCCC/C=C/C=C/C(C/C(=C(/C/C=C\CCCC(=O)OCC)\[N+]#N)/[O-])O

InChI

InChI=1S/C22H34N2O4/c1-3-5-6-7-8-9-12-15-19(25)18-21(26)20(24-23)16-13-10-11-14-17-22(27)28-4-2/h8-10,12-13,15,19,25H,3-7,11,14,16-18H2,1-2H3/b9-8+,13-10-,15-12+,21-20+