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 4 results

Search term: GAWPPECSMHTNBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23181074

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36+,38+/m1/s1
C46H63N13O10S21022.20353300
23181131

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36-,38+/m1/s1
C46H63N13O10S21022.20353300
8709448

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31-,32-,33-,34-,35+,36-,38-/m0/s1
C46H63N13O10S21022.20352100
8900078

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35-,36+,38+/m1/s1
C46H63N13O10S21022.20352100

Advertisement