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: ZLDSHYJRFNMIID (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9062511

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H54N4O8/c1-7-27-20-28-23-44(40(51)55-5,36-30(14-18-48(24-27)25-28)29-12-9-10-13-33(29)46-36)32-21-31-34(22-35(32)54-4)47-37-43(31)16-19-49-17-11-15-42(8-2,38(43)49)39(57-26(3)50)45(37,53)41(52)56-6/h9-13,15,20-22,28,37-39,46-47,53H,7-8,14,16-19,23-25H2,1-6H3/t28-,37+,38-,39+,42+,43-,44+,45-/m0/s1
C45H54N4O8778.93232100
9910097

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H54N4O8/c1-7-27-20-28-23-44(40(51)55-5,36-30(14-18-48(24-27)25-28)29-12-9-10-13-33(29)46-36)32-21-31-34(22-35(32)54-4)47-37-43(31)16-19-49-17-11-15-42(8-2,38(43)49)39(57-26(3)50)45(37,53)41(52)56-6/h9-13,15,20-22,28,37-39,46-47,53H,7-8,14,16-19,23-25H2,1-6H3/t28-,37+,38-,39+,42+,43-,44-,45-/m0/s1
C45H54N4O8778.93232100

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