(E)-1-diazonio-6-[[(Z)-6-diazonio-5-oxidanidyl-1-oxidanyl-1-oxidanylidene-hex-5-en-2-yl]amino]-6-oxidanylidene-5-(prop-2-enylamino)hex-1-en-2-olate hydrate

Systemtic Name: (E)-1-diazonio-6-[[(Z)-6-diazonio-5-oxidanidyl-1-oxidanyl-1-oxidanylidene-hex-5-en-2-yl]amino]-6-oxidanylidene-5-(prop-2-enylamino)hex-1-en-2-olate hydrate Openeye Name: (E)-5-(allylamino)-6-[[(Z)-1-carboxy-5-diazonio-4-oxido-pent-4-enyl]amino]-1-diazonio-6-oxo-hex-1-en-2-olate hydrate CAS Name: (E)-1-diazonio-6-[[(Z)-6-diazonio-1-hydroxy-5-oxido-1-oxohex-5-en-2-yl]amino]-6-oxo-5-(prop-2-enylamino)-1-hexen-2-olate hydrate IUPAC Name: (E)-1-diazonio-6-[[(Z)-6-diazonio-1-hydroxy-5-oxido-1-oxohex-5-en-2-yl]amino]-6-oxo-5-(prop-2-enylamino)hex-1-en-2-olate hydrate Traditional Name: (E)-5-(allylamino)-6-[[(Z)-1-carboxy-5-diazonio-4-oxido-pent-4-enyl]amino]-1-diazonio-6-keto-hex-1-en-2-olate hydrate Formula: C15H22N6O6 MolecularWeight: 382.37178

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(CCC(=C[N+]#N)[O-])C(=O)NC(CCC(=C[N+]#N)[O-])C(=O)O.O

Isomeric SMILES

C=CCNC(CC/C(=C\[N+]#N)/[O-])C(=O)NC(CC/C(=C/[N+]#N)/[O-])C(=O)O.O

InChI

InChI=1S/C15H20N6O5.H2O/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17;/h2,8-9,12-13,18H,1,3-7H2,(H2-2,21,22,23,24,25,26);1H2/b10-8+,11-9-;