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 11 results

Search term: BOAFIDYFQWIRTC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
182108

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21+/m1/s1
C21H26N2O2338.44337600
547799

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3
C21H26N2O2338.443361000
58802398

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17?,19-,21+/m1/s1
C21H26N2O2338.44336800
110417906

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17?,19-,21+/m1/s1/i2D3
C21H23D3N2O2341.46182200
8172863

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,21+/m1/s1
C21H26N2O2338.44332100
8218336

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,21+/m0/s1
C21H26N2O2338.44332100
8535236

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21+/m0/s1
C21H26N2O2338.44332100
8602692

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21-/m1/s1
C21H26N2O2338.44332100
8647733

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21-/m0/s1
C21H26N2O2338.44332100
9899428

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,21-/m0/s1
C21H26N2O2338.44332100
113609490

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17?,19-,21-/m1/s1
C21H26N2O2338.44331100

Advertisement