Basic Information |
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Product Name: | 3-(HYDROXYMETHYL)-3-NITRO-1-(4-OCTYLPHENYL)-1,4-BUTANEDIOL |
CAS: | 899822-99-2 |
English Synonyms: | 3-(HYDROXYMETHYL)-3-NITRO-1-(4-OCTYLPHENYL)-1,4-BUTANEDIOL |
MDL Number.: | MFCD23142622 |
H bond acceptor: | 6 |
H bond donor: | 3 |
Smile: | CCCCCCCCc1ccc(cc1)C(CC(CO)(CO)[N+](=O)[O-])O |
InChi: | InChI=1S/C19H31NO5/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18(23)13-19(14-21,15-22)20(24)25/h9-12,18,21-23H,2-8,13-15H2,1H3 |
InChiKey: | InChIKey=SUSUNJZIRVZIIO-UHFFFAOYSA-N |
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