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 12 results

Search term: QAEBXDDJNWIKAK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4654817

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-
C21H28O296.4464121000
17462127

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16?,19-,20-,21?/m1/s1
C21H28O296.44644200
2110519

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3
C21H28O296.446423200
4614111

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19+,20+,21+/m0/s1
C21H28O296.44642100
1639264

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19+,20+,21+/m1/s1
C21H28O296.44642100
10047792

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19-,20-,21-/m1/s1
C21H28O296.44642100
10047793

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19-,20-,21+/m1/s1
C21H28O296.44642100
10047794

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19+,20+,21-/m0/s1
C21H28O296.44642100
62632045

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19-,20-,21-/m0/s1
C21H28O296.44641100
80796588

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16-,19?,20?,21-/m0/s1
C21H28O296.44641100
95504563

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H28O/c1-15(2)8-7-11-18-12-16(3)19-13-20(18)21(22-14-19)17-9-5-4-6-10-17/h4-6,8-11,16,19-21H,7,12-14H2,1-3H3/b18-11-/t16?,19-,20-,21?/m0/s1
C21H28O296.44641100

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