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 6 results

Search term: DCJVKINJRHKIHH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10050573

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/t19-,20-,21-,22-,23-,26-,27-/m0/s1
C27H43NO3429.63529500
1401155

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/t19-,20-,21-,22+,23-,26-,27+/m1/s1
C27H43NO3429.63522100
2501056

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3
C27H43NO3429.63522100
10050572

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/p+1/t19-,20-,21-,22-,23-,26-,27-/m0/s1
C27H44NO3430.64261100
113598177

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/t19-,20-,21-,22-,23-,26-,27-/m1/s1
C27H43NO3429.63521100
1401154

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H43NO3/c1-26-13-10-20(31-25(30)12-17-28-15-4-3-5-16-28)18-19(26)6-7-21-22-8-9-24(29)27(22,2)14-11-23(21)26/h19-23H,3-18H2,1-2H3/p+1/t19-,20-,21-,22+,23-,26-,27+/m1/s1
C27H44NO3430.64261100

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