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 2 results

Search term: VBSQAOXLEJVFBP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3383238

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H55N3O9/c1-42(2)22-30-29(13-14-34-43(3,55-34)16-15-31(30)42)20-27-11-8-12-28(19-27)24-47-37-40(50)54-33-23-44(37,38(56-47)36-35(33)52-25-53-36)41(51)46(4)32(39(49)45-17-18-48)21-26-9-6-5-7-10-26/h5-12,19-20,30-38,48H,13-18,21-25H2,1-4H3,(H,45,49)
C44H55N3O9769.9221999999982100
5148188

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C44H55N3O9/c1-42(2)22-30-29(13-14-34-43(3,55-34)16-15-31(30)42)20-27-11-8-12-28(19-27)24-47-37-40(50)54-33-23-44(37,38(56-47)36-35(33)52-25-53-36)41(51)46(4)32(39(49)45-17-18-48)21-26-9-6-5-7-10-26/h5-12,19-20,30-38,48H,13-18,21-25H2,1-4H3,(H,45,49)/t30-,31-,32-,33-,34?,35+,36+,37+,38-,43-,44+/m1/s1
C44H55N3O9769.92222100

Advertisement