CCL: CAS number to 3D XYZ

 Sent to CCL by: karthikeyan [m.karthikeyan#ncl.res.in]
 I am really feeling sorry for this question. Unfortunately the answer is NO.
 Only way to get CAS number into 3D structure is to search  through
 SCIFINDER (Windows/Linux/Web) subscription
 Look up for CASRN to Structure (some of the cas numbers are assigned for
 mixtures , compositions etc.,)
 a) Get the image or 2d structure
 b) use tools of scifinder or Chemaxon MarvinView to create 3D (optimized
 / rapid) structure.
 CAS RN to Structure tools not yet available for free.
 e.g., for example CASRN for dyes
 548-62-9    C.I. Basic Violet 3 with  0.1% of Michler's ketone
 91315-45-6    C.I. Pigment White 25
 91432-92-7    C.I. Solvent Red 96
 915026-98-1    C.I. Reactive Red 264
 916900-16-8    C.I. Disperse Blue 183:1
 99549-42-5    C.I. Fluorescent Brightener 263
 CASRN for mixtures..
 Tail gas (petroleum), gas recovery plant deethanizer    68308-05-4
 Fuel gases, refinery    68308-27-0
 Alkanes, C1-2    68475-57-0
 Alkanes, C2-3    68475-58-1
 Alkanes, C3-4    68475-59-2
 Alkanes, C4-5    68475-60-5
 Wish you goodluck
 M.Karthikeyan
 http://moltable.ncl.res.in
 On 10/28/2011 6:53 PM, S P lcqsigi : hotmail.com wrote:
 
 Sent to CCL by: "S  P" [lcqsigi..hotmail.com]
 Dear CCL,
 Is there any unix/linux tool that can take a CAS number of a given molecular
 structure and convert it into a 3D-xyz coordinates representation?
 Thanks,>
 .
 
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