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
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Found 5 results

Search term: XGNLXIVLBLLTIG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8153910

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/b11-8+/t13?,16-,17-,18+,22-/m0/s1
C22H24O7400.42186500
23251319

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/b11-8-/t13?,16-,17-,18+,22-/m0/s1
C22H24O7400.42183300
29415117

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/b11-8+/t13-,16-,17-,18+,22-/m0/s1
C22H24O7400.42182200
29417408

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/b11-8-/t13-,16-,17-,18+,22-/m0/s1
C22H24O7400.42182200
34891652

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
C22H24O7400.42181100

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