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 10 results

Search term: CLMFEXDZPBGYQQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22786

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)
C16H20O2244.3288191800
34992029

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13+,14-/m0/s1
C16H20O2244.32882200
34992030

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13+,14-/m1/s1
C16H20O2244.32881100
34992031

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13+,14+/m0/s1
C16H20O2244.32881100
34992032

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13+,14+/m1/s1
C16H20O2244.32881100
34992033

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13-,14+/m1/s1
C16H20O2244.32881100
34992034

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13-,14+/m0/s1
C16H20O2244.32881100
34992035

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13-,14-/m1/s1
C16H20O2244.32881100
34992036

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)/t11-,13-,14-/m0/s1
C16H20O2244.32881100

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