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: VUUYDQJIFSHBPY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9882647

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
C52H82O231075.193682100
10136364

24 of 27 defined stereocentres - 24/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24?,25-,26+,27+,28?,29?,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
C52H82O231075.19372100
24687504

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,42-,43+,47+,48+,49+,50-,51-,52-/m0/s1
C52H82O231075.19372200

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