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: QAOBBBBDJSWHMU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446193

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1
C22H36O5380.5182395500
4470741

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19+,20+/m1/s1
C22H36O5380.51824101000
4939192

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12+/t16-,17?,19-,20+/m0/s1
C22H36O5380.51826500
1401

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)
C22H36O5380.51824300
8040370

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17?,19-,20-/m1/s1
C22H36O5380.51824300
32822027

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12+/t16-,17+,19-,20-/m1/s1
C22H36O5380.51824300
57618324

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12u/t16-,17-,19-,20-/m1/s1
C22H36O5380.51824300
2497464

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/t16-,17-,19-,20-/m1/s1
C22H36O5380.51823200
4954804

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20+/m1/s1
C22H36O5380.51822200
78221266

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m0/s1
C22H36O5380.51822200
78429184

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12+/t16-,17-,19-,20-/m1/s1
C22H36O5380.51822200
78430804

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6u,13-12+/t16-,17-,19+,20+/m1/s1
C22H36O5380.51821100
98649721

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12+/t16-,17+,19+,20+/m0/s1
C22H36O5380.51821100
58122368

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12u/t16-,17+,19+,20+/m0/s1
C22H36O5380.51821100
68057723

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12u/t16-,17-,19+,20+/m1/s1
C22H36O5380.51821100
57490489

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17+,19-,20+/m1/s1
C22H36O5380.51821100

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