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 3 results

Search term: PYYCTSSONOEHSO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9628820

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H44O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-19,21-23,29,31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,21-,22+,23-,25-,26-,27+,28-/m0/s1
C28H44O5460.6466500
25054060

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H44O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-19,21-23,29,31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,21-,22+,23-,25-,26-,27+,28+/m0/s1
C28H44O5460.6462200
4628787

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C28H44O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-19,21-23,29,31H,7-14H2,1-6H3/t15-,16?,17+,18?,19?,21-,22?,23?,25-,26-,27?,28?/m0/s1
C28H44O5460.6462300

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