(E)-1-oxidanyl-4-(1-oxidanylcycloheptyl)-3-oxidanylidene-1-phenyl-but-1-ene-2-diazonium

Systemtic Name: (E)-1-oxidanyl-4-(1-oxidanylcycloheptyl)-3-oxidanylidene-1-phenyl-but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-4-(1-hydroxycycloheptyl)-3-oxo-1-phenyl-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-4-(1-hydroxycycloheptyl)-3-oxo-1-phenyl-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-4-(1-hydroxycycloheptyl)-3-oxo-1-phenylbut-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-4-(1-hydroxycycloheptyl)-3-keto-1-phenyl-but-1-ene-2-diazonium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)C(=C(C2=CC=CC=C2)O)[N+]#N)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)/C(=C(/C2=CC=CC=C2)\O)/[N+]#N)O

InChI

InChI=1S/C17H20N2O3/c18-19-15(16(21)13-8-4-3-5-9-13)14(20)12-17(22)10-6-1-2-7-11-17/h3-5,8-9,22H,1-2,6-7,10-12H2/p+1