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: IOQLWCYQODTART (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5050166

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14+,15+,16-,18-/m1/s1
C20H27NO7393.430915900
2397416

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)
C20H27NO7393.430887400
5779907

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14-,15-,16+,18-/m0/s1
C20H27NO7393.43092100
5779909

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14-,15+,16+,18-/m0/s1
C20H27NO7393.43092100
5779910

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14+,15+,16-,18+/m1/s1
C20H27NO7393.43092100
5779912

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27NO7/c1-6-23-12-10-8-7-9-11(12)21-17(22)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h7-10,13-16,18H,6H2,1-5H3,(H,21,22)/t13-,14+,15-,16-,18+/m1/s1
C20H27NO7393.43092100

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