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: CPKBPCHJXMSTOE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447284

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.667026800
27471313

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.6675700
4447283

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17-,18-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.6670200000013400
68027252

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16+,17+,18-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.6672200
8202465

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16-,17+,18-,19?,20?,21?,22-,23-,24+,25?,26+,27-/m1/s1
C27H48O5452.6672100
8225106

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.6672100
103885505

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
C27H48O5452.6671100

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