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 11 results

Search term: TVHAZVBUYQMHBC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470755

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1
C22H38O5382.5341454300
4949433

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6+/t18-,19-,20+,21-/m1/s1
C22H38O5382.5341161000
5434

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)
C22H38O5382.53414300
10657991

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6+
C22H38O5382.534138900
8061945

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6+/t18-,19?,20+,21-/m1/s1
C22H38O5382.53412100
78432551

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/t18-,19-,20+,21-/m1/s1
C22H38O5382.53411100
78433575

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/t18?,19-,20?,21?/m1/s1
C22H38O5382.53411100
95602068

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m0/s1
C22H38O5382.53411100
114814348

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6+/t18-,19+,20-,21+/m0/s1
C22H38O5382.53411100

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