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 5 results

Search term: IUWMXNPPXWLHGJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468887

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20?,21?/m1/s1
C21H31NO9441.47215200
23548746

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20+,21?/m1/s1
C21H31NO9441.47214300
4023033

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)
C21H31NO9441.472142100
68416525

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20-,21-/m1/s1
C21H31NO9441.47212100
60759168

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20-,21?/m1/s1
C21H31NO9441.47211100

Advertisement