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 11 results

Search term: LSJGAYNIIMEDLR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143123

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20+/m0/s1
C22H25NO3351.43887700
2311381

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18?,19?,20-/m1/s1
C22H25NO3351.43883300
28551890

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3
C22H25NO3351.43883200
34251854

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19-,20-/m1/s1
C22H25NO3351.43882200
34251855

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19-,20+/m1/s1
C22H25NO3351.43882200
397107

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/i1-1
C2111CH25NO3350.43952200
2311379

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18?,19-,20?/m0/s1
C22H25NO3351.43882200
8536047

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18?,19?,20-/m0/s1
C22H25NO3351.43882100
2318868

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18?,19-,20?/m1/s1
C22H25NO3351.43881100
81368560

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20+/m0/s1/i1-1
C2111CH25NO3350.43951100

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