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: CDEBVTGYVFHDMA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4437759

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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
C20H20O9404.3674313300
30777613

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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
C20H20O9404.3674151400
94269984

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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
C20H16D4O9408.3926500
23977046

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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+/m1/s1
C20H20O9404.36744100
28467795

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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+
C20H20O9404.36743200
101935765

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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
111308749

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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
128925645

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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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