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: XPDXADLFWGSPSP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
163728

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C27H44FNO6/c1-14(4-7-23(33)29-13-20(28)25(34)35)17-5-6-18-24-19(12-22(32)27(17,18)3)26(2)9-8-16(30)10-15(26)11-21(24)31/h14-22,24,30-32H,4-13H2,1-3H3,(H,29,33)(H,34,35)/t14-,15+,16-,17-,18?,19?,20?,21-,22+,24?,26+,27-/m1/s1
C27H44FNO6497.63982200
19992591

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H44FNO6/c1-14(4-7-23(33)29-13-20(28)25(34)35)17-5-6-18-24-19(12-22(32)27(17,18)3)26(2)9-8-16(30)10-15(26)11-21(24)31/h14-22,24,30-32H,4-13H2,1-3H3,(H,29,33)(H,34,35)/t14-,15+,16-,17-,18+,19+,20?,21-,22+,24+,26+,27-/m1/s1
C27H44FNO6497.63981100

Advertisement