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 8 results

Search term: LASCNIPXMJNRGS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
222301

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16-,17-,20+,21+/m0/s1
C21H28O3328.44523237110
3252666

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3
C21H28O3328.44527400
10054967

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16+,17-,20-,21+/m1/s1
C21H28O3328.44522100
10054972

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15-,16+,17-,20-,21+/m1/s1
C21H28O3328.44522100
10054973

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16-,17-,20-,21+/m1/s1
C21H28O3328.44522100
10054974

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15-,16-,17-,20-,21+/m1/s1
C21H28O3328.44522100
11803310

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14?,15-,16?,17?,20-,21-/m1/s1
C21H28O3328.44521100
111312139

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16-,17-,20+,21+/m1/s1
C21H28O3328.44521100

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