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 3 results

Search term: LJFZXLQZUJKMRI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115554

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1
C25H29NO2S407.5683101000
9916855

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1
C25H29NO2S407.56834300
58816414

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25?/m0/s1
C25H29NO2S407.56831100

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