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 21 results

Search term: PJDMFGSFLLCCAO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446228

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1
C21H36O5368.50754343200
4895560

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+
C21H36O5368.50759900
23143414

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18?,19-,20+/m0/s1
C21H36O5368.50755330
10088330

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17+,18+,19-,20+/m0/s1
C21H36O5368.50753100
10095699

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17+,18-,19-,20+/m0/s1
C21H36O5368.50752100
10095700

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17-,18+,19+,20-/m1/s1
C21H36O5368.50752100
10095701

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5+,14-13+/t16-,17-,18-,19+,20-/m1/s1
C21H36O5368.50752100
21927670

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+
C21H36O5368.50752200
7975189

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18+,19-,20+/m0/s1
C21H36O5368.50752100
8484671

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19?,20+/m0/s1
C21H36O5368.50752100
8582181

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19+,20+/m0/s1
C21H36O5368.50752100
8698736

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18-,19+,20-/m1/s1/i5T,8T
C21H34T2O5372.52382200
8770601

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18+,19+,20-/m1/s1
C21H36O5368.50752100
8889691

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18+,19-,20+/m0/s1/i5T,8T
C21H34T2O5372.52382200
9222012

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18-,19+,20-/m1/s1
C21H36O5368.50752100
9968079

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18-,19-,20+/m0/s1
C21H36O5368.50752100
9999420

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18-,19-,20+/m1/s1
C21H36O5368.50752100
68057742

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13u/t16-,17+,18+,19-,20+/m0/s1
C21H36O5368.50751100
12

Advertisement