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: GBFUWHPCXNMVFC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23133624

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H20ClN5O6/c22-17-13(6-5-12-16(17)19(31)27-21(23)26-12)24-9-10-1-3-11(4-2-10)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)
C21H20ClN5O6473.86647600
110643

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H20ClN5O6/c22-17-13(6-5-12-16(17)19(31)27-21(23)26-12)24-9-10-1-3-11(4-2-10)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)/t14-/m0/s1
C21H20ClN5O6473.86646600

Advertisement