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 3 results

Search term: USCAJZIXTMHSJM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10019240

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H42N4O2/c41-25-12-11-24-21-35-23-39-19-8-4-2-1-3-7-17-36(34(35)40(24)31(42-36)14-13-25)22-28(29(35)16-20-39)32-33-27(15-18-37-32)26-9-5-6-10-30(26)38-33/h1,3,5-6,9-10,15,18,22,24,29,31,34,38H,2,4,7-8,11-14,16-17,19-21,23H2/b3-1-/t24-,29-,31+,34+,35-,36-/m0/s1
C36H42N4O2562.74436500
34981612

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H42N4O2/c41-25-12-11-24-21-35-23-39-19-8-4-2-1-3-7-17-36(34(35)40(24)31(42-36)14-13-25)22-28(29(35)16-20-39)32-33-27(15-18-37-32)26-9-5-6-10-30(26)38-33/h1,3,5-6,9-10,15,18,22,24,29,31,34,38H,2,4,7-8,11-14,16-17,19-21,23H2/b3-1-/t24-,29-,31+,34+,35+,36-/m0/s1
C36H42N4O2562.74432200
28283531

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C36H42N4O2/c41-25-12-11-24-21-35-23-39-19-8-4-2-1-3-7-17-36(34(35)40(24)31(42-36)14-13-25)22-28(29(35)16-20-39)32-33-27(15-18-37-32)26-9-5-6-10-30(26)38-33/h1,3,5-6,9-10,15,18,22,24,29,31,34,38H,2,4,7-8,11-14,16-17,19-21,23H2/b3-1-/t24-,29?,31+,34?,35?,36-/m0/s1
C36H42N4O2562.74431100

Advertisement