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 3 results

Search term: YHATUTRDNMKUMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17294707

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C66H86N18O12/c1-4-71-64(95)55-17-11-25-84(55)65(96)48(16-10-24-72-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-33-70-37-83(43)34-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-73-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-74-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-33,36-38,47-55,73,85-86H,4,10-11,16-17,22-30,34-35H2,1-3H3,(H,69,74)(H,71,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,72)/t47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
C66H86N18O121323.50242200
24958690

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C66H86N18O12/c1-4-71-64(95)55-17-11-25-84(55)65(96)48(16-10-24-72-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-33-70-37-83(43)34-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-73-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-74-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-33,36-38,47-55,73,85-86H,4,10-11,16-17,22-30,34-35H2,1-3H3,(H,69,74)(H,71,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,72)
C66H86N18O121323.50241100
32699732

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C66H86N18O12/c1-4-71-64(95)55-17-11-25-84(55)65(96)48(16-10-24-72-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-33-70-37-83(43)34-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-73-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-74-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-33,36-38,47-55,73,85-86H,4,10-11,16-17,22-30,34-35H2,1-3H3,(H,69,74)(H,71,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,72)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1
C66H86N18O121323.50241200

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