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 9 results

Search term: WGRQANOPCQRCME (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10123963

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
C22H30N6OS426.5782618200
28648002

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m1/s1
C22H30N6OS426.5782161600
28650636

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m1/s1
C22H30N6OS426.5782141300
48061353

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1/i7D2,8D2,9D2,10D2
C22H22D8N6OS434.62759800
58783638

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m0/s1
C22H30N6OS426.57822200
107447354

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1/i7D2,9D2
C22H26D4N6OS430.60282200
58783451

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m1/s1/i7D2,8D2,9D2,10D2
C22H22D8N6OS434.62751100
58783452

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m0/s1/i7D2,8D2,9D2,10D2
C22H22D8N6OS434.62751100
58783485

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m1/s1/i7D2,8D2,9D2,10D2
C22H22D8N6OS434.62751100

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