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 11 results

Search term: QWSAYEBSTMCFKY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4437760

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
C20H20O9404.3674303300
30777610

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
C20H20O9404.3674141500
23977045

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17-,18?,20+/m0/s1
C20H20O9404.36744100
94269989

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20?/m0/s1/i3D,4D,5D,6D
C20H16D4O9408.3924300
28467794

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+
C20H20O9404.36743300
94269978

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20?/m0/s1
C20H20O9404.36743300
107442066

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1/i3+1,4+1,5+1,6+1,10+1,12+1
C1413C6H20O9410.32332200
115009518

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1/i3D,4D,5D,6D
C20H16D4O9408.3921100
115041524

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16+,17+,18-,20+/m0/s1
C20H20O9404.36741100

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