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: LGWDBNNCYKGKFM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10051832

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23+,24+,25-/m1/s1
C25H40O5420.5821111500
4177517

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3
C25H40O5420.58214300
22906520

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,23-,24-,25+/m0/s1
C25H40O5420.58214200
4934112

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14?,15-,16-,17?,18?,19?,20-,23?,24?,25?/m1/s1
C25H40O5420.58213300
10142865

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16?,17-,18+,19+,20?,23+,24+,25-/m1/s1
C25H40O5420.58212200
62286793

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15-,16-,17-,18-,19-,20-,23-,24-,25+/m1/s1
C25H40O5420.58212200
82827072

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23?,24+,25-/m1/s1
C25H40O5420.58211100
111313188

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23?,24+,25-/m0/s1
C25H40O5420.58211100
113600674

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,23-,24-,25+/m1/s1
C25H40O5420.58211100

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