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: XHLPCLBQUAAWOP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3295136

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27F4N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-6-9-16(26)10-7-14)32-21-18(13-30)17-11-8-15(23(2,3)4)12-19(17)36-21/h6-7,9-10,15,32H,5,8,11-12H2,1-4H3,(H,31,33)
C25H27F4N3O3S525.55884300
62471352

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27F4N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-6-9-16(26)10-7-14)32-21-18(13-30)17-11-8-15(23(2,3)4)12-19(17)36-21/h6-7,9-10,15,32H,5,8,11-12H2,1-4H3,(H,31,33)/t15-,24+/m1/s1
C25H27F4N3O3S525.55882300
62527392

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27F4N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-6-9-16(26)10-7-14)32-21-18(13-30)17-11-8-15(23(2,3)4)12-19(17)36-21/h6-7,9-10,15,32H,5,8,11-12H2,1-4H3,(H,31,33)/t15-,24-/m1/s1
C25H27F4N3O3S525.55882200
62340015

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27F4N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-6-9-16(26)10-7-14)32-21-18(13-30)17-11-8-15(23(2,3)4)12-19(17)36-21/h6-7,9-10,15,32H,5,8,11-12H2,1-4H3,(H,31,33)/t15-,24+/m0/s1
C25H27F4N3O3S525.55881100

Advertisement