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: KHTHYBVBGJQSIO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115710

Charge

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H55N2O3/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2/h23-30,36H,5-21H2,1-4H3/q+1/t23-,24?,25?,26?,27-,28-,29-,30-,31-,32-/m0/s1
C32H55N2O3515.79023200
10023576

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H55N2O3/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2/h23-30,36H,5-21H2,1-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
C32H55N2O3515.79023400
10444730

Charge

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C32H55N2O3/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2/h23-30,36H,5-21H2,1-4H3/q+1
C32H55N2O3515.790211200
8523950

Charge

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C32H55N2O3/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2/h23-30,36H,5-21H2,1-4H3/q+1/t23-,24?,25?,26?,27?,28?,29-,30-,31-,32-/m0/s1
C32H55N2O3515.79021100

Advertisement