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: BOLRWJUTXFRBPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3405603

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22F3N3O3S2/c1-13(12-31-2)28-20(30)18(11-19(29)26-15-5-3-14(23)4-6-15)33-22(28)27-16-7-9-17(10-8-16)32-21(24)25/h3-10,13,18,21H,11-12H2,1-2H3,(H,26,29)/b27-22-
C22H22F3N3O3S2497.5535896131200
62498612

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22F3N3O3S2/c1-13(12-31-2)28-20(30)18(11-19(29)26-15-5-3-14(23)4-6-15)33-22(28)27-16-7-9-17(10-8-16)32-21(24)25/h3-10,13,18,21H,11-12H2,1-2H3,(H,26,29)/b27-22-/t13-,18+/m1/s1
C22H22F3N3O3S2497.55362200
62498613

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22F3N3O3S2/c1-13(12-31-2)28-20(30)18(11-19(29)26-15-5-3-14(23)4-6-15)33-22(28)27-16-7-9-17(10-8-16)32-21(24)25/h3-10,13,18,21H,11-12H2,1-2H3,(H,26,29)/b27-22-/t13-,18+/m0/s1
C22H22F3N3O3S2497.55362200
35466188

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22F3N3O3S2/c1-13(12-31-2)28-20(30)18(11-19(29)26-15-5-3-14(23)4-6-15)33-22(28)27-16-7-9-17(10-8-16)32-21(24)25/h3-10,13,18,21H,11-12H2,1-2H3,(H,26,29)
C22H22F3N3O3S2497.55361100

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