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 7 results

Search term: OGBUMNBNEWYMNJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3553

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3
C21H44O3344.572311013256
9036166

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1
C21H44O3344.5723212300
9006626

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m1/s1
C21H44O3344.5723151300
8911844

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1/i17T,18T/t17?,18?,21-
C21H42T2O3348.58852100
8983120

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/i19+2,20+2,21+2
C1814C3H44O3350.54992100
107433850

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/i19D2,20D2,21D
C21H39D5O3349.60311100
107443959

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m1/s1/i19D2,20D2,21D
C21H39D5O3349.60311100

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