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 6 results

Search term: MIUUNYUUEFHIHM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8005

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3
C21H28O4344.4446434600
34993922

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3/t15-,16-/m1/s1
C21H28O4344.44461100
34993923

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3/t15-,16-/m0/s1
C21H28O4344.44461100
34993924

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3/t15-,16+
C21H28O4344.44461100
114810757

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3/i3D3,4D3
C21H22D6O4350.48161100
114810758

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3/i5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,17+1,18+1,19+1,20+1
C913C12H28O4356.35651100

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