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: XVFOTUZZIWEJJJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23140239

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H47N5O8/c1-6-16(4)23(27(39)31-20(8-3)29(41)42)34-28(40)24(17(5)7-2)33-26(38)21(11-9-10-14-30)32-25(37)19-15-18(35)12-13-22(19)36/h12-13,15-17,20-21,23-24,35-36H,6-11,14,30H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)(H,34,40)(H,41,42)/t16-,17-,20?,21-,23-,24-/m0/s1
C29H47N5O8593.712182200
30809838

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O8/c1-6-16(4)23(27(39)31-20(8-3)29(41)42)34-28(40)24(17(5)7-2)33-26(38)21(11-9-10-14-30)32-25(37)19-15-18(35)12-13-22(19)36/h12-13,15-17,20-21,23-24,35-36H,6-11,14,30H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)(H,34,40)(H,41,42)/t16-,17-,20-,21-,23-,24-/m0/s1
C29H47N5O8593.71222200
23140376

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C29H47N5O8/c1-6-16(4)23(27(39)31-20(8-3)29(41)42)34-28(40)24(17(5)7-2)33-26(38)21(11-9-10-14-30)32-25(37)19-15-18(35)12-13-22(19)36/h12-13,15-17,20-21,23-24,35-36H,6-11,14,30H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)(H,34,40)(H,41,42)/t16?,17?,20?,21-,23-,24-/m0/s1
C29H47N5O8593.712181100

Advertisement