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

Systemtic Name: (5Z,8E,12E,14E)-8-diazonio-11-oxidanyl-icosa-1,5,8,12,14-pentaen-9-olate Openeye Name: (5Z,8E,12E,14E)-8-diazonio-11-hydroxy-icosa-1,5,8,12,14-pentaen-9-olate CAS Name: (5Z,8E,12E,14E)-8-diazonio-11-hydroxy-9-eicosa-1,5,8,12,14-pentaenolate IUPAC Name: (5Z,8E,12E,14E)-8-diazonio-11-hydroxyicosa-1,5,8,12,14-pentaen-9-olate Traditional Name: (5Z,8E,12E,14E)-8-diazonio-11-hydroxy-eicosa-1,5,8,12,14-pentaen-9-olate Formula: C20H30N2O2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2/c1-3-5-7-9-10-12-13-15-18(23)17-20(24)19(22-21)16-14-11-8-6-4-2/h4,10-15,18,23H,2-3,5-9,16-17H2,1H3/b12-10+,14-11-,15-13+,20-19+