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: PXJLWKQTPUITTL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2553213

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16BrNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
C12H16BrNO3S334.2293221500
5309439

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16BrNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10+
C12H16BrNO3S334.229344300
5309441

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16BrNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
C12H16BrNO3S334.229342100
5309442

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16BrNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m0/s1
C12H16BrNO3S334.229342100

Advertisement