Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 5 results

Search term: NNNUJNWMFLYQTF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17240219

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16+,17-,20+/m0/s1
C20H30O3318.4504201500
17240223

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16-,17-,20+/m0/s1
C20H30O3318.4504111200
29365086

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16?,17-,20+/m0/s1
C20H30O3318.45045500
82827378

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16+,17-,20+/m1/s1
C20H30O3318.45041100
114815079

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16-,17-,20-/m1/s1
C20H30O3318.45041100

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