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 19 results

Search term: XJKNQPQTQXKNOC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9320324

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23+,27+/m1/s1
C27H24O8476.4747403100
263452

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3
C27H24O8476.4747161300
5143065

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22+,23-,27-/m1/s1
C27H24O8476.474710600
9663189

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23+,27-/m1/s1
C27H24O8476.47479400
2081169

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23+,27-/m0/s1
C27H24O8476.474668700
29766476

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21?,22-,23?,27+/m0/s1
C27H24O8476.47475400
8414304

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,27?/m1/s1
C27H24O8476.47473200
9191440

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,27?/m0/s1
C27H24O8476.47472100
9202377

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,27?/m1/s1/i17+1
C2613CH24O8477.46732200
9908194

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23+,27?/m1/s1
C27H24O8476.47472100
9973530

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,27-/m1/s1/i27+2
C2614CH24O8478.46722200
29787492

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22?,23?,27+/m1/s1
C27H24O8476.47472200
29787493

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22?,23?,27-/m1/s1
C27H24O8476.47472500
58805311

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22-,23+,27+/m0/s1
C27H24O8476.47472100
71116799

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22+,23?,27+/m1/s1
C27H24O8476.47472200
71116800

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22+,23?,27-/m1/s1
C27H24O8476.47471100
115271593

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H24O8/c1-31-27-23(35-26(30)20-15-9-4-10-16-20)22(34-25(29)19-13-7-3-8-14-19)21(33-27)17-32-24(28)18-11-5-2-6-12-18/h2-16,21-23,27H,17H2,1H3/t21-,22+,23+,27+/m1/s1
C27H24O8476.47471200

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