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 8 results

Search term: DSVYQBSADVVKNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92445

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
C28H48O400.6801121000
17346421

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19?,20-,21?,22?,23?,24?,25?,26?,27?,28?/m1/s1
C28H48O400.68016300
220820

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20?,21+,22-,23+,24+,25-,26-,27-,28?/m1/s1
C28H48O400.68015600
248245

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3
C28H48O400.68015300
8772922

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1/i1D3,2D3,18D
C28H41D7O407.72332100
30991448

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19?,20?,21?,22-,23?,24?,25-,26-,27-,28?/m1/s1
C28H48O400.68011100
32756224

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28?/m1/s1
C28H48O400.68011100

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