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
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Found 2 results

Search term: AKWQTMZJEBHXCZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8549141

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C55H76N2O12/c1-26-31-14-15-32-33-13-11-29-17-37-44(45(65-9)49(29,7)52(33,63)23-40(60)51(31,32)25-66-54(26)41(61)21-46(3,4)68-54)57-36-16-28-10-12-30-34(48(28,6)20-38(36)56-37)18-39(59)50(8)35(30)19-43-53(50,64)27(2)55(67-43)42(62)22-47(5,24-58)69-55/h15,19,26-31,33-34,39,41-43,45,58-59,61-64H,10-14,16-18,20-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,33-,34-,39+,41+,42+,43-,45-,47-,48-,49+,50+,51+,52+,53+,54+,55-/m0/s1
C55H76N2O12957.19814300
29216642

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C55H76N2O12/c1-26-31-14-15-32-33-13-11-29-17-37-44(45(65-9)49(29,7)52(33,63)23-40(60)51(31,32)25-66-54(26)41(61)21-46(3,4)68-54)57-36-16-28-10-12-30-34(48(28,6)20-38(36)56-37)18-39(59)50(8)35(30)19-43-53(50,64)27(2)55(67-43)42(62)22-47(5,24-58)69-55/h15,19,26-31,33-34,39,41-43,45,58-59,61-64H,10-14,16-18,20-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,33-,34-,39+,41+,42+,43-,45-,47-,48-,49+,50+,51+,52+,53+,54-,55-/m0/s1
C55H76N2O12957.19812200

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