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: KWXLXTCLQLFSRA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7943894

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26BrN3O2/c1-4-20(27-19-9-7-8-17(22)14-19)21(26)24-23-15-16-10-12-18(13-11-16)25(5-2)6-3/h7-15,20H,4-6H2,1-3H3,(H,24,26)/b23-15+
C21H26BrN3O2432.354151300
3640448

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26BrN3O2/c1-4-20(27-19-9-7-8-17(22)14-19)21(26)24-23-15-16-10-12-18(13-11-16)25(5-2)6-3/h7-15,20H,4-6H2,1-3H3,(H,24,26)
C21H26BrN3O2432.354044200
5390701

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26BrN3O2/c1-4-20(27-19-9-7-8-17(22)14-19)21(26)24-23-15-16-10-12-18(13-11-16)25(5-2)6-3/h7-15,20H,4-6H2,1-3H3,(H,24,26)/b23-15-/t20-/m0/s1
C21H26BrN3O2432.3542100
5390702

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26BrN3O2/c1-4-20(27-19-9-7-8-17(22)14-19)21(26)24-23-15-16-10-12-18(13-11-16)25(5-2)6-3/h7-15,20H,4-6H2,1-3H3,(H,24,26)/b23-15-/t20-/m1/s1
C21H26BrN3O2432.3542100

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