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 19 results

Search term: ZQHJXKYYELWEOK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92654

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)
C20H28O3316.4345131800
13076859

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20-/m0/s1
C20H28O3316.434512700
10189627

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1
C20H28O3316.434510900
21615429

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20+/m1/s1
C20H28O3316.43457500
10043930

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m0/s1
C20H28O3316.43457400
5144356

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19-,20+/m1/s1
C20H28O3316.43457600
8420727

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
C20H28O3316.43456500
58924923

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1
C20H28O3316.43455400
8578987

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20?/m0/s1
C20H28O3316.43452100
809533

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17-,19-,20+/m0/s1
C20H28O3316.43452100
809534

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19-,20+/m0/s1
C20H28O3316.43452100
4573075

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16?,17?,19-,20+/m1/s1
C20H28O3316.43452100
4911179

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17-,19?,20-/m0/s1
C20H28O3316.43452200
5024848

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17-,19+,20-/m0/s1
C20H28O3316.43452100
10035076

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/p-1/t16-,17-,19-,20+/m0/s1
C20H27O3315.42711100
10035077

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/p-1/t16-,17+,19-,20+/m0/s1
C20H27O3315.42711100
10043929

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/p-1/t16-,17+,19+,20-/m0/s1
C20H27O3315.42711100
10043931

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/p-1/t16-,17-,19+,20-/m0/s1
C20H27O3315.42711100
58842819

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19-,20+/m1/s1
C20H28O3316.43451100

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