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 4 results

Search term: UOELMDIOCSFSEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736482

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12+,24-13-/t19-,20+,22-,24+,25-,26+,27+,28+;20-,22+,25-,26+,27-,28+/m00/s1
C56H88O2793.296743113
58817375

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12+,24-13-/t19-,20+,22-,24+,25-,26+,27+,28+;20-,22+,25+,26+,27-,28?/m00/s1
C56H88O2793.29671100
4955003

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12+,24-13-/t19-,20+,22-,24+,25-,26+,27+,28+;20-,22+,25+,26+,27-,28+/m00/s1
C56H88O2793.29671100
8116204

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12-,24-13+/t19?,20?,22-,24+,25?,26?,27+,28+;20?,22?,25-,26?,27?,28?/m00/s1
C56H88O2793.29671100

Advertisement