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 4 results

Search term: YYWTYNQDBUNMIJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7860360

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H18ClN3O2S/c1-14-3-2-4-15(11-14)12-20-21(27)25-22(29-20)26-24-13-18-9-10-19(28-18)16-5-7-17(23)8-6-16/h2-11,13,20H,12H2,1H3,(H,25,26,27)/b24-13+
C22H18ClN3O2S423.9152262100
5255214

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H18ClN3O2S/c1-14-3-2-4-15(11-14)12-20-21(27)25-22(29-20)26-24-13-18-9-10-19(28-18)16-5-7-17(23)8-6-16/h2-11,13,20H,12H2,1H3,(H,25,26,27)/b24-13-/t20-/m0/s1
C22H18ClN3O2S423.91523200
2150768

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H18ClN3O2S/c1-14-3-2-4-15(11-14)12-20-21(27)25-22(29-20)26-24-13-18-9-10-19(28-18)16-5-7-17(23)8-6-16/h2-11,13,20H,12H2,1H3,(H,25,26,27)
C22H18ClN3O2S423.915223200
4598318

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H18ClN3O2S/c1-14-3-2-4-15(11-14)12-20-21(27)25-22(29-20)26-24-13-18-9-10-19(28-18)16-5-7-17(23)8-6-16/h2-11,13,20H,12H2,1H3,(H,25,26,27)/b24-13-/t20-/m1/s1
C22H18ClN3O2S423.91522100

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