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 10 results

Search term: WPGSJVUKSMYCJB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
300427

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3
C25H27NO357.48811600
1132417

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/t18-,19-,23-,24+,25?/m0/s1
C25H27NO357.4882100
5730303

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/t18-,19+,23-,24+,25?
C25H27NO357.4882100
5730306

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/t18-,19+,23-,24-,25?/m0/s1
C25H27NO357.4882100
5730308

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/t18-,19-,23-,24-/m0/s1
C25H27NO357.4882100
5730307

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/p+1/t18-,19-,23-,24-/m0/s1
C25H28NO358.49541100
5730304

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/p+1/t18-,19-,23-,24+,25?/m0/s1
C25H28NO358.49541100
5730305

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/p+1/t18-,19+,23-,24-,25?/m0/s1
C25H28NO358.49541100
3734966

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/p+1
C25H28NO358.495921100
5730302

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H27NO/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22/h3-19,23-24,26-27H,1-2H3/p+1/t18-,19+,23-,24+,25?
C25H28NO358.49541100

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