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 5 results

Search term: SSZYXLJZIWJPOK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10130406

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C31H31BrN3O9P/c1-20(30(38)41-18-21-8-3-2-4-9-21)34-45(40,44-26-13-7-11-22-10-5-6-12-24(22)26)42-19-27-25(36)16-28(43-27)35-17-23(14-15-32)29(37)33-31(35)39/h2-15,17,20,25,27-28,36H,16,18-19H2,1H3,(H,34,40)(H,33,37,39)/b15-14+/t20-,25-,27+,28+,45?/m0/s1
C31H31BrN3O9P700.47034300
9767592

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H31BrN3O9P/c1-20(30(38)41-18-21-8-3-2-4-9-21)34-45(40,44-26-13-7-11-22-10-5-6-12-24(22)26)42-19-27-25(36)16-28(43-27)35-17-23(14-15-32)29(37)33-31(35)39/h2-15,17,20,25,27-28,36H,16,18-19H2,1H3,(H,34,40)(H,33,37,39)/b15-14+/t20-,25+,27-,28-,45-/m1/s1
C31H31BrN3O9P700.47032100
9853963

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H31BrN3O9P/c1-20(30(38)41-18-21-8-3-2-4-9-21)34-45(40,44-26-13-7-11-22-10-5-6-12-24(22)26)42-19-27-25(36)16-28(43-27)35-17-23(14-15-32)29(37)33-31(35)39/h2-15,17,20,25,27-28,36H,16,18-19H2,1H3,(H,34,40)(H,33,37,39)/b15-14+/t20-,25+,27-,28-,45+/m1/s1
C31H31BrN3O9P700.47032100
76819422

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C31H31BrN3O9P/c1-20(30(38)41-18-21-8-3-2-4-9-21)34-45(40,44-26-13-7-11-22-10-5-6-12-24(22)26)42-19-27-25(36)16-28(43-27)35-17-23(14-15-32)29(37)33-31(35)39/h2-15,17,20,25,27-28,36H,16,18-19H2,1H3,(H,34,40)(H,33,37,39)/b15-14+/t20-,25+,27-,28-,45?/m1/s1
C31H31BrN3O9P700.47032200
23265357

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C31H31BrN3O9P/c1-20(30(38)41-18-21-8-3-2-4-9-21)34-45(40,44-26-13-7-11-22-10-5-6-12-24(22)26)42-19-27-25(36)16-28(43-27)35-17-23(14-15-32)29(37)33-31(35)39/h2-15,17,20,25,27-28,36H,16,18-19H2,1H3,(H,34,40)(H,33,37,39)/b15-14+/t20-,25?,27?,28?,45?/m1/s1
C31H31BrN3O9P700.47031100

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