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 18 results

Search term: AWOGQCSIVCQXBT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9101999

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1
C21H22O6370.3958484800
158534

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1
C21H22O6370.3958292900
114520

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m1/s1
C21H22O6370.3958191800
4478661

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3
C21H22O6370.39588500
9614985

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m1/s1
C21H22O6370.39587421
9385967

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21-/m0/s1
C21H22O6370.39584200
26563607

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15+,20-,21-/m0/s1
C21H22O6370.39583200
68019468

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14?,15?,20-,21+/m0/s1
C21H22O6370.39583200
113611326

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15+,20+,21+/m1/s1
C21H22O6370.39583300
114815002

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15+,20-,21+/m0/s1
C21H22O6370.39582200
82963575

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21-/m1/s1
C21H22O6370.39582200
29774081

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21?/m0/s1
C21H22O6370.39582700
32697115

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21-/m0/s1
C21H22O6370.39582100
4476200

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14?,15?,20-,21?/m0/s1
C21H22O6370.39582200
113608705

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15+,20-,21+/m1/s1
C21H22O6370.39582200
28945007

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15+,20-,21-/m1/s1
C21H22O6370.39581100
82827477

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21?/m1/s1
C21H22O6370.39581100
95532611

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20?,21?/m0/s1
C21H22O6370.39581100

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