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: JFDNMLUPLXZXGV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444622

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1
C18H28O9388.409526600
8105885

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+/t10?,11?,13-,15-,16+,17-,18?/m1/s1
C18H28O9388.40952100
9857248

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13+,15+,16-,17+,18+/m1/s1
C18H28O9388.40952100
103881974

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11+,13-,15-,16+,17-,18-/m1/s1
C18H28O9388.40952200
128920543

Charge

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/p-1/b2-1-/t10-,11+,13-,15-,16+,17-,18-/m1/s1
C18H27O9387.40212200
3678864

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)
C18H28O9388.409522100
24785280

Charge

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/p-1/b2-1+
C18H27O9387.40211100
28285819

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13+,15?,16+,17-,18-/m1/s1
C18H28O9388.40951100
61718810

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+/t10-,11-,13?,15+,16?,17-,18+/m1/s1
C18H28O9388.40951100

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