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 12 results

Search term: KIQXRQVVYTYYAZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8154509

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
C22H28F2O5410.4515323500
45743313

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1/i2D2,7D2
C22H24D4F2O5414.47628800
21467507

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+
C22H28F2O5410.45157500
72391268

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12u
C22H28F2O5410.45157800
28573168

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12+
C22H28F2O5410.45152100
57618645

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12u/t17-,18-,19+,20-/m1/s1
C22H28F2O5410.45152200
95639055

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12-
C22H28F2O5410.45151100
114815580

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1+,13-12+/t17-,18+,19-,20+/m0/s1
C22H28F2O5410.45151100
128924765

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12u/t17-,18+,19+,20-/m1/s1
C22H28F2O5410.45151100

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