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 5 results

Search term: LHCQLAFJKZXZJJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
166879

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
C26H44OS404.6924400
19993235

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26+/m0/s1
C26H44OS404.6923300
9916691

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20-,21?,22+,23?,24?,25-,26+/m0/s1
C26H44OS404.6922100
65793367

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26+/m0/s1/i28-12
C26H44O20S392.6271100
108539442

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18?,20-,21-,22+,23-,24-,25-,26+/m0/s1
C26H44OS404.6921100

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