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 2 results

Search term: CMHGAZOUGNIEHH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9484321

31 of 33 defined stereocentres - 31/33 defined
InChI=1/C59H96O27/c1-23-33(63)45(84-49-42(72)39(69)36(66)27(20-61)81-49)44(74)51(79-23)85-46-34(64)25(62)21-77-52(46)83-31-12-13-56(6)29(55(31,4)5)11-14-58(8)30(56)10-9-24-32-47(75)54(2,3)15-17-59(32,18-16-57(24,58)7)53(76)86-50-43(73)40(70)37(67)28(82-50)22-78-48-41(71)38(68)35(65)26(19-60)80-48/h9,23,25-52,60-75H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29?,30?,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47-,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
C59H96O271237.37732100
10187680

33 of 33 defined stereocentres - 33/33 defined
InChI=1/C59H96O27/c1-23-33(63)45(84-49-42(72)39(69)36(66)27(20-61)81-49)44(74)51(79-23)85-46-34(64)25(62)21-77-52(46)83-31-12-13-56(6)29(55(31,4)5)11-14-58(8)30(56)10-9-24-32-47(75)54(2,3)15-17-59(32,18-16-57(24,58)7)53(76)86-50-43(73)40(70)37(67)28(82-50)22-78-48-41(71)38(68)35(65)26(19-60)80-48/h9,23,25-52,60-75H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47-,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
C59H96O271237.37731100

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