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: JYQZNARJHYYNBT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4441494

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C37H49NO10/c1-2-3-4-7-11-16-28(39)17-12-8-5-6-9-15-20-31(37(47,36(45)46)26-33(40)41)34(42)38-32(35(43)44)25-27-21-23-30(24-22-27)48-29-18-13-10-14-19-29/h10,13-15,18-24,31-32,47H,2-9,11-12,16-17,25-26H2,1H3,(H,38,42)(H,40,41)(H,43,44)(H,45,46)/b20-15+/t31-,32+,37+/m1/s1
C37H49NO10667.7856599999985400
9867924

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C37H49NO10/c1-2-3-4-7-11-16-28(39)17-12-8-5-6-9-15-20-31(37(47,36(45)46)26-33(40)41)34(42)38-32(35(43)44)25-27-21-23-30(24-22-27)48-29-18-13-10-14-19-29/h10,13-15,18-24,31-32,47H,2-9,11-12,16-17,25-26H2,1H3,(H,38,42)(H,40,41)(H,43,44)(H,45,46)/b20-15+/t31?,32-,37?/m0/s1
C37H49NO10667.78572100

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