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 2 results

Search term: KPQGJCLWMARZMY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2440103

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29N5O5S/c1-31-12-11-25-21(29)18(13-7-9-15(32-2)10-8-13)27(14-5-3-4-6-14)22(30)19-16(23)17(20(24)28)26-33-19/h7-10,14,18H,3-6,11-12,23H2,1-2H3,(H2,24,28)(H,25,29)
C22H29N5O5S475.561212600
62575206

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N5O5S/c1-31-12-11-25-21(29)18(13-7-9-15(32-2)10-8-13)27(14-5-3-4-6-14)22(30)19-16(23)17(20(24)28)26-33-19/h7-10,14,18H,3-6,11-12,23H2,1-2H3,(H2,24,28)(H,25,29)/t18-/m0/s1
C22H29N5O5S475.56122200

Advertisement